| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 38 | Very low | 249 Ų | 249 | 151.5 Ų | 151.5 | 100% | 1.227 | 81% | 0.813 | S | S | * | * | 0 | 104.3 | 0 | -82.2 | -172.4 | -91.6 | 0 | 0 | 108 | |||||
| 2 | A | 30.8 | Very low | 39.1 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 145.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | P | 34.3 | Very low | 39.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.5 | -172.9 | 29.9 | -31.8 | 0 | 0 | 0 | 110.7 | ||
| 4 | A | 32.3 | Very low | 40.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 118.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 5 | F | 37 | Very low | 41.4 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 123.6 | 168.5 | -70.9 | -85.7 | 0 | 0 | 0 | 108.9 | ||
| 6 | R | 38.4 | Very low | 42.3 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -100 | 105.5 | 174.4 | -149 | -178 | -169.9 | -173.7 | 3.4 | 107.7 | A8 | R6-A8 PolarHBondContact O-N 3.47Š| ||
| 7 | M | 36.8 | Very low | 42.6 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -78.7 | 114.7 | 166.8 | -72 | -174.3 | -133.5 | 0 | 0 | 107.8 | E27 | M7-E27 HydrophobicContact SD-CG 4.25Š| ||
| 8 | A | 40.6 | Very low | 43.2 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -102.2 | 112.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | R6 R10 | R6-A8 PolarHBondContact O-N 3.47Å; A8-R10 PolarHBondContact O-N 3.19Å | ||
| 9 | T | 42.4 | Very low | 43.2 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122 | 173.1 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 10 | R | 46.5 | Very low | 43.3 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 119.7 | 166.5 | -76 | -171.5 | 177.5 | 179.4 | 0.1 | 108 | A8 A12 | A8-R10 PolarHBondContact O-N 3.19Å; R10-A12 PolarHBondContact O-N 3.41Å |
| 11 | P | 42.5 | Very low | 43.4 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 131.9 | 172.1 | 25.6 | -29.6 | 0 | 0 | 0 | 109.5 | ||
| 12 | A | 50.7 | Low | 43.9 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 134 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R10 | R10-A12 PolarHBondContact O-N 3.41Å |
| 13 | V | 46.2 | Very low | 44.8 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.1 | -176.3 | -177.7 | 0 | 0 | 0 | 0 | 108 | M17 | V13-M17 HydrophobicContact CG1-CB 4.45Å; V13-M17 HydrophobicContact CG1-CG 3.83Å |
| 14 | S | 51.3 | Low | 45.5 | Very low | 42 Ų | 42 | 129.4 Ų | 129.4 | 29% | 0.294 | 68% | 0.68 | S | S | . | * | trans | -65.2 | 145.5 | 171.5 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | N16 M17 | S14-N16 PolarHBondContact O-N 3.39Å; S14-N16 PolarHBondContact OG-OD1 3.14Å; S14-M17 PolarHBondContact O-N 3.29Å | ||
| 15 | E | 54.8 | Low | 46.3 | Very low | 209 Ų | 209 | 128 Ų | 128 | 98% | 0.977 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -12.5 | -172.6 | -68 | -177.6 | 159.5 | 0 | 0 | 115.1 | ||
| 16 | N | 55.3 | Low | 47.1 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 8.7 | 177.4 | 67 | 6.1 | 0 | 0 | 0 | 115 | S14 S18 | S14-N16 PolarHBondContact O-N 3.39Å; S14-N16 PolarHBondContact OG-OD1 3.14Å; N16-S18 VanDerWaalsContact CG-OG 3.28Å; N16-S18 PolarHBondContact ND2-OG 3.21Å; N16-S18 PolarHBondContact O-N 3.45Å; N16-S18 PolarHBondContact OD1-N 3.5Å; N16-S18 PolarHBondContact OD1-OG 3.25Å |
| 17 | M | 47.6 | Very low | 48 | Very low | 162 Ų | 162 | 112.5 Ų | 112.5 | 80% | 0.798 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 48.3 | 25.5 | 178.9 | -63 | -149.5 | -69.7 | 0 | 0 | 116.1 | V13 S14 | V13-M17 HydrophobicContact CG1-CB 4.45Å; V13-M17 HydrophobicContact CG1-CG 3.83Å; S14-M17 PolarHBondContact O-N 3.29Å |
| 18 | S | 52.7 | Low | 48.6 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | trans | -97.8 | -12.5 | -175.6 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | N16 | N16-S18 VanDerWaalsContact CG-OG 3.28Å; N16-S18 PolarHBondContact ND2-OG 3.21Å; N16-S18 PolarHBondContact O-N 3.45Å; N16-S18 PolarHBondContact OD1-N 3.5Å; N16-S18 PolarHBondContact OD1-OG 3.25Å | ||
| 19 | Q | 43.9 | Very low | 49.1 | Very low | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -144.3 | 131.5 | 176.9 | -69.1 | -174.2 | -14.4 | 0 | 0 | 111.8 | ||||
| 20 | F | 45.3 | Very low | 49.4 | Very low | 187 Ų | 187 | 108.3 Ų | 108.3 | 82% | 0.82 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.9 | 164.9 | -72.6 | -88.2 | 0 | 0 | 0 | 108.3 | ||
| 21 | T | 46.1 | Very low | 49.4 | Very low | 94 Ų | 94 | 103 Ų | 103 | 58% | 0.577 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.8 | 169.5 | 22.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 22 | V | 47.1 | Very low | 49.6 | Very low | 89 Ų | 89 | 104.4 Ų | 104.4 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | trans | -89.5 | 113.8 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 107 | F24 | V22-F24 HydrophobicContact CB-CE2 3.78Å; V22-F24 HydrophobicContact CB-CZ 3.86Å; V22-F24 HydrophobicContact CG1-CD1 4.32Å; V22-F24 HydrophobicContact CG1-CD2 4.33Å; V22-F24 HydrophobicContact CG1-CE1 3.72Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact O-CD2 3.31Å; V22-F24 WeakPolarHBondContact O-CD2 3.35Å | ||
| 23 | D | 48.6 | Very low | 49.4 | Very low | 111 Ų | 111 | 111.5 Ų | 111.5 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | trans | -83.1 | 116.4 | 176.9 | -177.3 | 6.3 | 0 | 0 | 0 | 109.9 | S25 | D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.01Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.3Å; D23-S25 VanDerWaalsContact OD2-OG 3.05Å | ||
| 24 | F | 48.5 | Very low | 49.2 | Very low | 127 Ų | 127 | 113 Ų | 113 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | trans | -102.6 | 12.7 | 179.5 | -63.3 | -77.3 | 0 | 0 | 0 | 113.2 | V22 G26 E27 K28 | V22-F24 HydrophobicContact CB-CE2 3.78Å; V22-F24 HydrophobicContact CB-CZ 3.86Å; V22-F24 HydrophobicContact CG1-CD1 4.32Å; V22-F24 HydrophobicContact CG1-CD2 4.33Å; V22-F24 HydrophobicContact CG1-CE1 3.72Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact CG1-CZ 3.4Å; V22-F24 VanDerWaalsContact O-CD2 3.31Å; V22-F24 WeakPolarHBondContact O-CD2 3.35Å; F24-G26 VanDerWaalsContact C-N 3.27Å; F24-G26 PolarHBondContact O-N 3.44Å; F24-E27 WeakPolarHBondContact CA-OE2 3.42Å; F24-E27 PolarHBondContact O-N 3.36Å; F24-K28 WeakPolarHBondContact O-CB 3.12Å; F24-K28 PolarHBondContact O-N 3.23Å; F24-K28 VanDerWaalsContact O-N 3.08Å | ||
| 25 | S | 50.8 | Low | 48.8 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64 | -31.8 | -175.9 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | D23 A29 | D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.01Å; D23-S25 PolarHBondContact OD1-OG 3.45Å; D23-S25 PolarHBondContact OD2-OG 3.3Å; D23-S25 VanDerWaalsContact OD2-OG 3.05Å; S25-A29 PolarHBondContact O-N 3.08Å |
| 26 | G | 52.9 | Low | 48.1 | Very low | 51 Ų | 51 | 116.9 Ų | 116.9 | 53% | 0.526 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F24 A29 G30 | F24-G26 VanDerWaalsContact C-N 3.27Å; F24-G26 PolarHBondContact O-N 3.44Å; G26-A29 PolarHBondContact O-N 3.05Å; G26-G30 PolarHBondContact O-N 2.71Å |
| 27 | E | 56.8 | Low | 46.8 | Very low | 59 Ų | 59 | 119 Ų | 119 | 28% | 0.276 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.2 | -36.7 | 178.3 | -66.2 | 82 | 176.3 | 0 | 0 | 111.3 | M7 F24 A29 G30 L31 | M7-E27 HydrophobicContact SD-CG 4.25Å; F24-E27 WeakPolarHBondContact CA-OE2 3.42Å; F24-E27 PolarHBondContact O-N 3.36Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.32Å; E27-G30 PolarHBondContact O-N 3.46Å; E27-G30 VanDerWaalsContact O-N 3.14Å; E27-L31 PolarHBondContact O-N 2.83Å |
| 28 | K | 49.1 | Very low | 46.2 | Very low | 147 Ų | 147 | 117.1 Ų | 117.1 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.5 | -36.5 | 175.1 | -168.3 | 175 | -178.5 | 178 | 0 | 112.1 | F24 G30 L32 | F24-K28 WeakPolarHBondContact O-CB 3.12Å; F24-K28 PolarHBondContact O-N 3.23Å; F24-K28 VanDerWaalsContact O-N 3.08Å; K28-G30 VanDerWaalsContact C-N 3.34Å; K28-L32 WeakPolarHBondContact O-CG 3.31Å; K28-L32 PolarHBondContact O-N 3.15Å |
| 29 | A | 51.9 | Low | 45.2 | Very low | 59 Ų | 59 | 117 Ų | 117 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.4 | -29.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S25 G26 E27 | S25-A29 PolarHBondContact O-N 3.08Å; G26-A29 PolarHBondContact O-N 3.05Å; E27-A29 VanDerWaalsContact C-N 3.32Å; E27-A29 PolarHBondContact O-N 3.32Å |
| 30 | G | 49.3 | Very low | 44.5 | Very low | 41 Ų | 41 | 118.8 Ų | 118.8 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.2 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G26 E27 K28 R33 | G26-G30 PolarHBondContact O-N 2.71Å; E27-G30 PolarHBondContact O-N 3.46Å; E27-G30 VanDerWaalsContact O-N 3.14Å; K28-G30 VanDerWaalsContact C-N 3.34Å; G30-R33 PolarHBondContact O-N 2.91Å |
| 31 | L | 46.7 | Very low | 43.9 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.4 | -34 | 178.1 | -77.7 | 164 | 0 | 0 | 0 | 112.9 | E27 R33 L34 | E27-L31 PolarHBondContact O-N 2.83Å; L31-R33 PolarHBondContact O-N 3.08Å; L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 PolarHBondContact O-N 2.95Å |
| 32 | L | 47 | Very low | 43.4 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 72% | 0.723 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -6.3 | 176.5 | -70.8 | 171.5 | 0 | 0 | 0 | 114.1 | K28 | K28-L32 WeakPolarHBondContact O-CG 3.31Å; K28-L32 PolarHBondContact O-N 3.15Å |
| 33 | R | 46.6 | Very low | 42.8 | Very low | 217 Ų | 217 | 126.9 Ų | 126.9 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -5 | 176.5 | -79.2 | -175.8 | 152.7 | -168.4 | -5 | 114.3 | G30 L31 N35 | G30-R33 PolarHBondContact O-N 2.91Å; L31-R33 PolarHBondContact O-N 3.08Å; R33-N35 PolarHBondContact O-N 3.14Å |
| 34 | L | 40.8 | Very low | 42 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 59% | 0.586 | 68% | 0.683 | S | S | * | * | trans | -85.8 | 86.3 | 178.2 | -68.9 | 168.4 | 0 | 0 | 0 | 110.4 | L31 F36 | L31-L34 HydrophobicContact CD2-CD1 4.35Å; L31-L34 PolarHBondContact O-N 2.95Å; L34-F36 HydrophobicContact CB-CE2 4.29Å; L34-F36 PolarHBondContact O-N 2.86Å | ||
| 35 | N | 43.1 | Very low | 41.2 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -78.9 | 107.5 | 171.5 | -74.9 | -36.3 | 0 | 0 | 0 | 110.3 | R33 | R33-N35 PolarHBondContact O-N 3.14Š| ||
| 36 | F | 39.4 | Very low | 40.3 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -99.3 | 103.4 | 165.2 | -75.3 | -83.1 | 0 | 0 | 0 | 110.4 | L34 | L34-F36 HydrophobicContact CB-CE2 4.29Å; L34-F36 PolarHBondContact O-N 2.86Å | ||
| 37 | L | 29.6 | Very low | 39.3 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 86.6 | 160 | 158.6 | -51.9 | 177 | 0 | 0 | 0 | 118.1 | ||
| 38 | P | 34.6 | Very low | 38.2 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | -118.4 | 155.1 | -102.6 | 19.9 | 4.5 | 0 | 0 | 0 | 114.8 | |||||
| 39 | G | 31.5 | Very low | 37.2 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 63.4 | 120 | 142 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 40 | Q | 29.3 | Very low | 36.1 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 139.7 | 171.3 | -72.9 | -166.8 | -8.6 | 0 | 0 | 114.8 | ||||
| 41 | K | 33 | Very low | 35.2 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | 70 | 158.7 | 137.1 | -79.6 | 178.9 | -178.7 | 173 | 0 | 120.1 | ||||
| 42 | P | 34.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | cis | -136.5 | 177.1 | 22.3 | 37.6 | -16.4 | 0 | 0 | 0 | 118.2 | ||||
| 43 | R | 34.6 | Very low | 34.1 | Very low | 239 Ų | 239 | 155 Ų | 155 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -60.6 | 159.2 | 170.4 | -72.7 | 179.5 | 176.7 | 179.9 | -2 | 112.5 | ||||
| 44 | P | 32.1 | Very low | 33.6 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -132.3 | 168.8 | 117.5 | 36 | -25.1 | 0 | 0 | 0 | 114.5 | |||||
| 45 | S | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -76 | 148.5 | -169.1 | 46.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 46 | S | 33.4 | Very low | 33.4 | Very low | 110 Ų | 110 | 159.1 Ų | 159.1 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 10.8 | 131.4 | 152.1 | 65.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 47 | R | 30.3 | Very low | 33.2 | Very low | 251 Ų | 251 | 157 Ų | 157 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | -152.5 | 139.1 | 128.1 | -107.5 | 176.3 | -158.6 | -160.2 | 4.5 | 110.9 | |||||
| 48 | H | 34.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 93% | 0.931 | 83% | 0.825 | S | S | * | * | trans | -55.8 | 146.3 | 173.3 | -74.5 | -20.8 | 0 | 0 | 0 | 113.1 | ||||
| 49 | G | 28.7 | Very low | 34.3 | Very low | 76 Ų | 76 | 151.5 Ų | 151.5 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -168.6 | 117.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | N | 28.4 | Very low | 35.2 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -66.9 | 172.6 | -171.6 | -81.2 | -31.5 | 0 | 0 | 0 | 115.3 | ||||
| 51 | S | 29.5 | Very low | 36.7 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 84.8 | 104.5 | 143.6 | 55.2 | 0 | 0 | 0 | 0 | 118.8 | D53 | S51-D53 PolarHBondContact O-N 2.85Š| ||
| 52 | Y | 34.9 | Very low | 38.8 | Very low | 231 Ų | 231 | 146 Ų | 146 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | 12.8 | 102.9 | 124.1 | -56.5 | -82.2 | 0 | 0 | 0 | 115.5 | |||||
| 53 | D | 36.8 | Very low | 41.2 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | -177.2 | 153 | 120.7 | -119.5 | -24.8 | 0 | 0 | 0 | 111.1 | S51 | S51-D53 PolarHBondContact O-N 2.85Š| |||
| 54 | R | 35.4 | Very low | 43.9 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | 93.4 | 56.8 | -175.7 | -55.6 | -173 | 179.2 | 179.6 | 0.1 | 116.2 | ||||
| 55 | L | 38.9 | Very low | 46.7 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | -77.8 | 144.3 | 129.5 | -75.9 | 166 | 0 | 0 | 0 | 108 | |||||
| 56 | L | 41.8 | Very low | 49.7 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | trans | 89.7 | 60.5 | 176.3 | -50.9 | 165.3 | 0 | 0 | 0 | 116.8 | ||||
| 57 | T | 34.3 | Very low | 52.7 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 83% | 0.828 | 66% | 0.663 | S | S | * | * | trans | -103.4 | 111 | 131.9 | 44.3 | 0 | 0 | 0 | 0 | 106.5 | S59 | T57-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | G | 40.3 | Very low | 55.8 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | trans | -51.2 | 120.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L60 | G58-L60 PolarHBondContact O-N 2.83Š| ||
| 59 | S | 47.5 | Very low | 58.8 | Low | 100 Ų | 100 | 111.7 Ų | 111.7 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -66.6 | 80.8 | 156.3 | 172.8 | 0 | 0 | 0 | 0 | 106 | T57 F61 | T57-S59 PolarHBondContact O-N 2.91Å; T57-S59 VanDerWaalsContact O-N 3.14Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 2.84Å | ||
| 60 | L | 51.1 | Low | 62.1 | Low | 160 Ų | 160 | 109 Ų | 109 | 84% | 0.838 | 57% | 0.571 | S | S | * | * | trans | -47.6 | 108.7 | 158.9 | -87.5 | 149.6 | 0 | 0 | 0 | 104.8 | G58 S62 | G58-L60 PolarHBondContact O-N 2.83Å; L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.37Å | ||
| 61 | F | 60.4 | Low | 65.2 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | trans | -57.7 | 99.9 | 172.5 | -66.8 | -82.5 | 0 | 0 | 0 | 106.3 | S59 V63 A151 | S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 2.84Å; F61-V63 PolarHBondContact O-N 3.18Å; F61-A151 HydrophobicContact CB-CB 3.25Å; F61-A151 HydrophobicContact CD1-CB 4.49Å; F61-A151 HydrophobicContact CD2-CB 3.73Å; F61-A151 HydrophobicContact CG-CB 3.6Å | ||
| 62 | S | 77.1 | Confident | 68.2 | Low | 41 Ų | 41 | 106.1 Ų | 106.1 | 29% | 0.287 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -60 | 129 | 179.3 | 37.5 | 0 | 0 | 0 | 0 | 107.4 | L60 D91 G92 N149 | L60-S62 VanDerWaalsContact C-N 3.26Å; L60-S62 PolarHBondContact O-N 3.37Å; S62-D91 PolarHBondContact OG-O 2.71Å; S62-G92 WeakPolarHBondContact OG-CA 3.18Å; S62-G92 PolarHBondContact OG-N 3.41Å; S62-N149 PolarHBondContact O-ND2 3.39Å |
| 63 | V | 84.8 | Confident | 71 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 129 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | F61 R65 A152 | F61-V63 PolarHBondContact O-N 3.18Å; V63-R65 PolarHBondContact O-N 3.28Å; V63-A152 HydrophobicContact CG1-CB 4.24Å; V63-A152 HydrophobicContact CG2-CB 3.88Å |
| 64 | P | 90.4 | Very high | 73.8 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.026 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 141 | 179.3 | -26.6 | 37.3 | 0 | 0 | 0 | 111.5 | I94 A147 N149 G154 | P64-I94 HydrophobicContact CB-CG1 4.19Å; P64-A147 HydrophobicContact CB-CB 3.57Å; P64-A147 HydrophobicContact CG-CB 4.45Å; P64-N149 HydrophobicContact CG-CB 3.94Å; P64-G154 VanDerWaalsContact O-CA 3.24Å; P64-G154 WeakPolarHBondContact O-CA 3.24Å |
| 65 | R | 91.6 | Very high | 76.4 | Confident | 173 Ų | 173 | 83 Ų | 83 | 65% | 0.653 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 152.8 | 174.6 | -174.7 | 165.7 | 174.9 | -169.1 | 2.2 | 110.6 | V63 S88 | V63-R65 PolarHBondContact O-N 3.28Å; R65-S88 VanDerWaalsContact CD-OG 3.27Å; R65-S88 WeakPolarHBondContact CD-OG 3.35Å |
| 66 | A | 94.1 | Very high | 78.7 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 26% | 0.256 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 126.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | S88 D155 | A66-S88 WeakPolarHBondContact O-CB 3.17Å; A66-D155 HydrophobicContact CB-CB 4.46Å |
| 67 | P | 95.8 | Very high | 80.3 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.032 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 164.8 | 172.5 | -15 | 28.8 | 0 | 0 | 0 | 111.9 | W85 R86 Y97 V145 A147 S157 | P67-W85 HydrophobicContact CB-CB 4.44Å; P67-W85 HydrophobicContact CB-CG 4.33Å; P67-R86 WeakPolarHBondContact CB-O 3.48Å; P67-Y97 HydrophobicContact CG-CD1 3.95Å; P67-Y97 HydrophobicContact CG-CE1 3.85Å; P67-V145 HydrophobicContact CB-CG1 3.93Å; P67-V145 HydrophobicContact CG-CG1 4.16Å; P67-A147 HydrophobicContact CG-CB 3.99Å; P67-S157 WeakPolarHBondContact O-CB 3.31Å |
| 68 | E | 96.5 | Very high | 82 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.4 | 175.9 | -170.8 | -176.1 | 178 | 0 | 0 | 110.3 | D70 W85 R86 | E68-D70 PolarHBondContact O-N 3.5Å; E68-W85 CarbonylContact O-C 3.56Å; E68-W85 WeakPolarHBondContact O-CA 3.27Å; E68-W85 VanDerWaalsContact O-CB 3.25Å; E68-W85 WeakPolarHBondContact O-CB 3.45Å; E68-R86 PolarHBondContact N-O 3.13Å; E68-R86 PolarHBondContact O-N 2.93Å |
| 69 | I | 97.3 | Very high | 83.8 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 122.9 | 177.1 | -63.7 | 180 | 0 | 0 | 0 | 109.3 | V71 V83 V143 V145 V160 | I69-V71 HydrophobicContact CG2-CG2 4.41Å; I69-V71 PolarHBondContact O-N 3.03Å; I69-V71 VanDerWaalsContact O-N 3.13Å; I69-V83 HydrophobicContact CD1-CG1 4.43Å; I69-V83 HydrophobicContact CG2-CG1 4.19Å; I69-V143 HydrophobicContact CD1-CG2 3.74Å; I69-V145 HydrophobicContact CD1-CG1 4.26Å; I69-V145 HydrophobicContact CG1-CG1 3.79Å; I69-V160 HydrophobicContact CB-CG2 3.95Å; I69-V160 HydrophobicContact CD1-CB 4.27Å; I69-V160 HydrophobicContact CD1-CG2 4.01Å; I69-V160 HydrophobicContact CG1-CG2 4.49Å; I69-V160 HydrophobicContact CG2-CB 4.46Å; I69-V160 HydrophobicContact CG2-CG2 4.08Å |
| 70 | D | 96.6 | Very high | 85.6 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | trans | -84.6 | 85.6 | 173.9 | -175.4 | -0.3 | 0 | 0 | 0 | 109.6 | E68 S72 S73 C74 T84 R86 | E68-D70 PolarHBondContact O-N 3.5Å; D70-S72 PolarHBondContact O-N 2.66Å; D70-S72 PolarHBondContact OD1-N 2.86Å; D70-S72 PolarHBondContact OD1-OG 3.36Å; D70-S73 VanDerWaalsContact CG-OG 3.27Å; D70-S73 PolarHBondContact O-N 2.78Å; D70-S73 PolarHBondContact OD1-N 3.31Å; D70-S73 WeakPolarHBondContact OD2-CB 3.45Å; D70-S73 PolarHBondContact OD2-OG 2.77Å; D70-C74 PolarHBondContact O-N 2.79Å; D70-C74 PolarHBondContact O-SG 3.4Å; D70-T84 PolarHBondContact N-O 2.77Å; D70-R86 IonicContact OD1-NH2 3.15Å; D70-R86 PolarHBondContact OD1-NH2 2.94Å; D70-R86 VanDerWaalsContact OD1-NH2 3.15Å; D70-R86 IonicContact OD2-CZ 3.57Å; D70-R86 IonicContact OD2-NE 3.65Å; D70-R86 IonicContact OD2-NH2 2.83Å; D70-R86 PolarHBondContact OD2-NH2 3.42Å | ||
| 71 | V | 94.2 | Very high | 87.6 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 53% | 0.527 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -55.3 | -35.4 | -178 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | I69 S73 C74 V160 | I69-V71 HydrophobicContact CG2-CG2 4.41Å; I69-V71 PolarHBondContact O-N 3.03Å; I69-V71 VanDerWaalsContact O-N 3.13Å; V71-S73 PolarHBondContact O-N 3.47Å; V71-C74 WeakPolarHBondContact O-CB 3.46Å; V71-C74 PolarHBondContact O-N 3Å; V71-V160 HydrophobicContact CG1-CG1 4.45Å; V71-V160 HydrophobicContact CG2-CG1 3.84Å; V71-V160 HydrophobicContact CG2-CG2 4.16Å |
| 72 | S | 92.8 | Very high | 89.3 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 76% | 0.762 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -68.8 | -23.3 | -179.5 | 71 | 0 | 0 | 0 | 0 | 113.6 | D70 | D70-S72 PolarHBondContact O-N 2.66Å; D70-S72 PolarHBondContact OD1-N 2.86Å; D70-S72 PolarHBondContact OD1-OG 3.36Å |
| 73 | S | 94.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -99.8 | 0.9 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | D70 V71 T84 | D70-S73 VanDerWaalsContact CG-OG 3.27Å; D70-S73 PolarHBondContact O-N 2.78Å; D70-S73 PolarHBondContact OD1-N 3.31Å; D70-S73 WeakPolarHBondContact OD2-CB 3.45Å; D70-S73 PolarHBondContact OD2-OG 2.77Å; V71-S73 PolarHBondContact O-N 3.47Å; S73-T84 PolarHBondContact O-OG1 3.17Å; S73-T84 VanDerWaalsContact O-OG1 3.09Å |
| 74 | C | 94.1 | Very high | 90.9 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | trans | -84.2 | 146.3 | 175 | -66.6 | 0 | 0 | 0 | 0 | 110.5 | D70 V71 T82 T84 M162 | D70-C74 PolarHBondContact O-N 2.79Å; D70-C74 PolarHBondContact O-SG 3.4Å; V71-C74 WeakPolarHBondContact O-CB 3.46Å; V71-C74 PolarHBondContact O-N 3Å; C74-T82 CarbonylContact C-O 3.58Å; C74-T82 VanDerWaalsContact CA-O 3.22Å; C74-T82 WeakPolarHBondContact CA-O 3.44Å; C74-T82 WeakPolarHBondContact CB-O 3.25Å; C74-T84 PolarHBondContact SG-N 2.95Å; C74-T84 VanDerWaalsContact SG-N 3.38Å; C74-M162 HydrophobicContact CB-CE 3.72Å; C74-M162 HydrophobicContact CB-SD 4.09Å | ||
| 75 | I | 90.5 | Very high | 91.3 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.9 | -176.1 | -50.1 | 177 | 0 | 0 | 0 | 109.6 | R77 I81 T82 | I75-R77 HydrophobicContact CG2-CG 3.93Å; I75-I81 CarbonylContact O-C 3.53Å; I75-I81 WeakPolarHBondContact O-CA 3.2Å; I75-T82 PolarHBondContact N-O 3.2Å; I75-T82 PolarHBondContact O-N 3.33Å |
| 76 | V | 86.9 | Confident | 91.5 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 109.5 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | I81 F136 M162 T164 | V76-I81 HydrophobicContact CG1-CG1 4.14Å; V76-I81 HydrophobicContact CG2-CG1 4.17Å; V76-I81 HydrophobicContact CG2-CG2 4.42Å; V76-F136 HydrophobicContact CG1-CE2 3.63Å; V76-F136 HydrophobicContact CG1-CZ 3.61Å; V76-M162 HydrophobicContact CG2-CB 3.96Å; V76-M162 HydrophobicContact CG2-SD 3.98Å; V76-T164 HydrophobicContact CG1-CG2 4.26Å |
| 77 | R | 75.9 | Confident | 91.4 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 154.8 | 177.4 | 60.6 | -178.3 | 156.1 | -176 | -8.2 | 110.6 | I75 N79 C80 | I75-R77 HydrophobicContact CG2-CG 3.93Å; R77-N79 VanDerWaalsContact C-N 3.34Å; R77-N79 PolarHBondContact O-N 3.15Å; R77-C80 PolarHBondContact N-O 2.97Å; R77-C80 CarbonylContact O-C 3.57Å; R77-C80 VanDerWaalsContact O-CA 3.3Å; R77-C80 WeakPolarHBondContact O-CA 3.01Å; R77-C80 WeakPolarHBondContact O-CB 3.49Å; R77-C80 PolarHBondContact O-N 2.97Å |
| 78 | D | 69.3 | Low | 90.9 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.7 | 169.1 | -55.8 | -43.9 | 0 | 0 | 0 | 115.8 | C80 S366 T367 | D78-C80 PolarHBondContact O-N 2.84Å; D78-C80 PolarHBondContact O-SG 3.17Å; D78-S366 PolarHBondContact N-O 2.89Å; D78-S366 VanDerWaalsContact N-O 3.14Å; D78-S366 VanDerWaalsContact OD1-C 3.31Å; D78-T367 WeakPolarHBondContact OD1-CB 3.34Å; D78-T367 PolarHBondContact OD1-N 2.99Å |
| 79 | N | 77.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 23.5 | -174.6 | -82.4 | -18.5 | 0 | 0 | 0 | 113.4 | R77 G133 L134 Y363 C364 | R77-N79 VanDerWaalsContact C-N 3.34Å; R77-N79 PolarHBondContact O-N 3.15Å; N79-G133 PolarHBondContact O-N 3.38Å; N79-L134 WeakPolarHBondContact CB-O 3.45Å; N79-L134 PolarHBondContact ND2-O 3.25Å; N79-L134 WeakPolarHBondContact O-CB 3.45Å; N79-L134 PolarHBondContact O-N 3.23Å; N79-L134 PolarHBondContact OD1-O 3.2Å; N79-L134 VanDerWaalsContact OD1-O 3.11Å; N79-Y363 PolarHBondContact ND2-O 3.09Å; N79-Y363 VanDerWaalsContact ND2-O 3.07Å; N79-C364 WeakPolarHBondContact ND2-CB 3.18Å; N79-C364 PolarHBondContact ND2-O 3.19Å; N79-C364 WeakPolarHBondContact OD1-CB 2.9Å; N79-C364 PolarHBondContact OD1-SG 2.57Å |
| 80 | C | 86.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.3 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | R77 D78 T130 L131 | R77-C80 PolarHBondContact N-O 2.97Å; R77-C80 CarbonylContact O-C 3.57Å; R77-C80 VanDerWaalsContact O-CA 3.3Å; R77-C80 WeakPolarHBondContact O-CA 3.01Å; R77-C80 WeakPolarHBondContact O-CB 3.49Å; R77-C80 PolarHBondContact O-N 2.97Å; D78-C80 PolarHBondContact O-N 2.84Å; D78-C80 PolarHBondContact O-SG 3.17Å; C80-T130 HydrophobicContact CB-CG2 4.01Å; C80-L131 CarbonylContact C-O 3.56Å; C80-L131 WeakPolarHBondContact CA-O 3.38Å; C80-L131 VanDerWaalsContact CB-O 3.31Å; C80-L131 WeakPolarHBondContact CB-O 3.48Å |
| 81 | I | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 110.4 | 174 | -62.9 | 179.7 | 0 | 0 | 0 | 107.2 | I75 V76 V83 T130 L131 L134 F136 I141 M162 T164 | I75-I81 CarbonylContact O-C 3.53Å; I75-I81 WeakPolarHBondContact O-CA 3.2Å; V76-I81 HydrophobicContact CG1-CG1 4.14Å; V76-I81 HydrophobicContact CG2-CG1 4.17Å; V76-I81 HydrophobicContact CG2-CG2 4.42Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; I81-T130 WeakPolarHBondContact O-CA 3.08Å; I81-L131 HydrophobicContact CB-CB 4.22Å; I81-L131 HydrophobicContact CB-CD1 4.21Å; I81-L131 HydrophobicContact CB-CG 4.48Å; I81-L131 PolarHBondContact N-O 2.75Å; I81-L131 PolarHBondContact O-N 2.86Å; I81-L134 HydrophobicContact CB-CD1 4.12Å; I81-L134 HydrophobicContact CD1-CD1 3.69Å; I81-L134 HydrophobicContact CG1-CD1 3.71Å; I81-F136 HydrophobicContact CD1-CE1 4.15Å; I81-F136 HydrophobicContact CD1-CZ 4.45Å; I81-F136 HydrophobicContact CG1-CE1 4.07Å; I81-F136 HydrophobicContact CG1-CZ 4.01Å; I81-I141 HydrophobicContact CD1-CB 3.52Å; I81-I141 HydrophobicContact CD1-CG1 3.69Å; I81-I141 HydrophobicContact CD1-CG2 3.79Å; I81-M162 HydrophobicContact CD1-CB 4.46Å; I81-M162 HydrophobicContact CG2-CE 3.96Å; I81-M162 HydrophobicContact CG2-SD 3.25Å; I81-M162 WeakPolarHBondContact CG2-SD 3.12Å; I81-T164 HydrophobicContact CD1-CG2 4.41Å |
| 82 | T | 96.1 | Very high | 85.3 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.6 | 168 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | C74 I75 V129 T130 | C74-T82 CarbonylContact C-O 3.58Å; C74-T82 VanDerWaalsContact CA-O 3.22Å; C74-T82 WeakPolarHBondContact CA-O 3.44Å; C74-T82 WeakPolarHBondContact CB-O 3.25Å; I75-T82 PolarHBondContact N-O 3.2Å; I75-T82 PolarHBondContact O-N 3.33Å; T82-V129 WeakPolarHBondContact CA-O 3.49Å; T82-T130 PolarHBondContact OG1-OG1 2.9Å |
| 83 | V | 97.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.1 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 108.1 | I69 I81 W85 L99 Q128 V129 L131 V143 M162 | I69-V83 HydrophobicContact CD1-CG1 4.43Å; I69-V83 HydrophobicContact CG2-CG1 4.19Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; V83-W85 HydrophobicContact CB-CZ3 4.35Å; V83-W85 HydrophobicContact CG1-CE3 4.15Å; V83-W85 HydrophobicContact CG1-CZ3 4.39Å; V83-W85 WeakPolarHBondContact O-CZ3 3.3Å; V83-L99 HydrophobicContact CB-CD1 3.77Å; V83-L99 HydrophobicContact CG1-CD1 3.86Å; V83-L99 HydrophobicContact CG2-CD1 3.88Å; V83-Q128 CarbonylContact O-C 3.47Å; V83-Q128 WeakPolarHBondContact O-CA 3.26Å; V83-V129 PolarHBondContact N-O 2.85Å; V83-V129 PolarHBondContact O-N 2.9Å; V83-L131 HydrophobicContact CG2-CD1 4.44Å; V83-V143 HydrophobicContact CG1-CG2 4.16Å; V83-V143 HydrophobicContact CG2-CB 4.48Å; V83-V143 HydrophobicContact CG2-CG1 4.08Å; V83-V143 HydrophobicContact CG2-CG2 4.4Å; V83-M162 HydrophobicContact CB-CE 4.27Å; V83-M162 HydrophobicContact CG1-CE 3.96Å; V83-M162 HydrophobicContact CG2-CE 3.77Å |
| 84 | T | 98.2 | Very high | 84.6 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | D70 S73 C74 Q128 | D70-T84 PolarHBondContact N-O 2.77Å; S73-T84 PolarHBondContact O-OG1 3.17Å; S73-T84 VanDerWaalsContact O-OG1 3.09Å; C74-T84 PolarHBondContact SG-N 2.95Å; C74-T84 VanDerWaalsContact SG-N 3.38Å; T84-Q128 HydrophobicContact CG2-CB 4.46Å |
| 85 | W | 97.9 | Very high | 84.5 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 162.2 | 178.8 | 57.9 | 91.9 | 0 | 0 | 0 | 111.8 | P67 E68 V83 Y97 L99 I124 D126 T127 V129 V145 | P67-W85 HydrophobicContact CB-CB 4.44Å; P67-W85 HydrophobicContact CB-CG 4.33Å; E68-W85 CarbonylContact O-C 3.56Å; E68-W85 WeakPolarHBondContact O-CA 3.27Å; E68-W85 VanDerWaalsContact O-CB 3.25Å; E68-W85 WeakPolarHBondContact O-CB 3.45Å; V83-W85 HydrophobicContact CB-CZ3 4.35Å; V83-W85 HydrophobicContact CG1-CE3 4.15Å; V83-W85 HydrophobicContact CG1-CZ3 4.39Å; V83-W85 WeakPolarHBondContact O-CZ3 3.3Å; W85-Y97 AromaticContact CD1-CE1 3.89Å; W85-Y97 AromaticContact CE2-CG 3.91Å; W85-Y97 HydrophobicContact CZ2-CD1 4.36Å; W85-Y97 AromaticContact CZ2-CD2 3.94Å; W85-Y97 HydrophobicContact CZ2-CD2 3.94Å; W85-Y97 AromaticContact CZ2-CG 3.78Å; W85-Y97 HydrophobicContact CZ2-CG 3.78Å; W85-Y97 AromaticContact NE1-CD1 3.28Å; W85-Y97 VanDerWaalsContact NE1-CD1 3.28Å; W85-Y97 AromaticContact NE1-CD2 3.76Å; W85-Y97 AromaticContact NE1-CE1 3.3Å; W85-Y97 VanDerWaalsContact NE1-CE1 3.3Å; W85-Y97 AromaticContact NE1-CE2 3.8Å; W85-Y97 AromaticContact NE1-CG 3.52Å; W85-Y97 AromaticContact NE1-CZ 3.58Å; W85-L99 HydrophobicContact CZ3-CD1 4.1Å; W85-I124 HydrophobicContact CH2-CD1 4.23Å; W85-I124 HydrophobicContact CH2-CG2 4.05Å; W85-I124 HydrophobicContact CZ2-CG2 4.13Å; W85-D126 WeakPolarHBondContact CZ2-O 3.47Å; W85-T127 PolarHBondContact N-O 3.32Å; W85-T127 WeakPolarHBondContact O-CB 3.24Å; W85-V129 HydrophobicContact CH2-CB 4.13Å; W85-V129 HydrophobicContact CH2-CG1 4Å; W85-V129 HydrophobicContact CZ3-CB 4.38Å; W85-V129 HydrophobicContact CZ3-CG1 3.93Å; W85-V145 HydrophobicContact CB-CG1 4.09Å; W85-V145 HydrophobicContact CD2-CB 4.45Å; W85-V145 HydrophobicContact CD2-CG1 4.26Å; W85-V145 HydrophobicContact CD2-CG2 3.89Å; W85-V145 HydrophobicContact CE3-CG2 4.24Å; W85-V145 HydrophobicContact CG-CG1 4.03Å; W85-V145 HydrophobicContact CG-CG2 4.32Å; W85-V145 HydrophobicContact CH2-CG2 4.41Å; W85-V145 HydrophobicContact CZ2-CG2 4.06Å; W85-V145 HydrophobicContact CZ3-CG2 4.49Å |
| 86 | R | 95.7 | Very high | 84.7 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.9 | 171.4 | -58 | -173.8 | -157.3 | 109.6 | 4.2 | 108.9 | P67 E68 D70 | P67-R86 WeakPolarHBondContact CB-O 3.48Å; E68-R86 PolarHBondContact N-O 3.13Å; E68-R86 PolarHBondContact O-N 2.93Å; D70-R86 IonicContact OD1-NH2 3.15Å; D70-R86 PolarHBondContact OD1-NH2 2.94Å; D70-R86 VanDerWaalsContact OD1-NH2 3.15Å; D70-R86 IonicContact OD2-CZ 3.57Å; D70-R86 IonicContact OD2-NE 3.65Å; D70-R86 IonicContact OD2-NH2 2.83Å; D70-R86 PolarHBondContact OD2-NH2 3.42Å |
| 87 | P | 92.2 | Very high | 85.2 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 41% | 0.409 | 30% | 0.298 | S | S | . | . | trans | -57.5 | 142.5 | 167.2 | -16.5 | 28.7 | 0 | 0 | 0 | 109.3 | I94 Y97 T127 | P87-I94 HydrophobicContact CB-CD1 3.89Å; P87-Y97 WeakPolarHBondContact CG-OH 3.22Å; P87-T127 HydrophobicContact CG-CG2 3.8Å | ||
| 88 | S | 85.1 | Confident | 86.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | trans | -79.7 | 139.3 | 170.4 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | R65 A66 G90 | R65-S88 VanDerWaalsContact CD-OG 3.27Å; R65-S88 WeakPolarHBondContact CD-OG 3.35Å; A66-S88 WeakPolarHBondContact O-CB 3.17Å; S88-G90 PolarHBondContact O-N 3.15Å | ||
| 89 | D | 69.9 | Low | 87.6 | Confident | 163 Ų | 163 | 48.6 Ų | 48.6 | 87% | 0.872 | 27% | 0.266 | S | S | * | . | trans | -64.5 | 100.4 | 167.5 | -64.1 | -32.7 | 0 | 0 | 0 | 108.2 | ||||
| 90 | G | 65.1 | Low | 88.5 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | trans | -141.8 | 159.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S88 G92 | S88-G90 PolarHBondContact O-N 3.15Å; G90-G92 PolarHBondContact O-N 2.97Å; G90-G92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | D | 64.4 | Low | 88.9 | Confident | 164 Ų | 164 | 48 Ų | 48 | 88% | 0.877 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70.2 | -3.5 | -172.6 | -78.6 | -22.5 | 0 | 0 | 0 | 114.6 | S62 | S62-D91 PolarHBondContact OG-O 2.71Š|
| 92 | G | 68.3 | Low | 88.9 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -110 | 133.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S62 G90 I94 | S62-G92 WeakPolarHBondContact OG-CA 3.18Å; S62-G92 PolarHBondContact OG-N 3.41Å; G90-G92 PolarHBondContact O-N 2.97Å; G90-G92 VanDerWaalsContact O-N 3.08Å; G92-I94 PolarHBondContact O-N 2.88Å |
| 93 | P | 82.7 | Confident | 88.5 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -64 | 128.4 | 175.5 | 27.5 | -33.5 | 0 | 0 | 0 | 109.5 | N149 | P93-N149 WeakPolarHBondContact O-CB 3.46Š| ||
| 94 | I | 89.9 | Confident | 87.9 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | trans | -89.7 | 126.1 | 174 | -58.3 | 169.1 | 0 | 0 | 0 | 108.1 | P64 P87 G92 Y97 A147 | P64-I94 HydrophobicContact CB-CG1 4.19Å; P87-I94 HydrophobicContact CB-CD1 3.89Å; G92-I94 PolarHBondContact O-N 2.88Å; I94-Y97 HydrophobicContact CD1-CE1 4.46Å; I94-Y97 HydrophobicContact CG2-CD1 4.45Å; I94-Y97 HydrophobicContact CG2-CE1 3.79Å; I94-Y97 HydrophobicContact CG2-CE2 3.97Å; I94-A147 HydrophobicContact CD1-CB 4.06Å; I94-A147 HydrophobicContact CG1-CB 4.02Å; I94-A147 HydrophobicContact CG2-CB 3.85Å | ||
| 95 | E | 90.9 | Very high | 87.1 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | trans | -104.7 | -39.8 | 177 | -65.6 | -165.1 | 174.6 | 0 | 0 | 112.2 | R148 K150 | E95-R148 PolarHBondContact N-O 3.19Å; E95-K150 VanDerWaalsContact OE1-CD 3.3Å; E95-K150 WeakPolarHBondContact OE1-CD 3.42Å; E95-K150 WeakPolarHBondContact OE1-CE 3.17Å; E95-K150 WeakPolarHBondContact OE1-CG 3.46Å; E95-K150 IonicContact OE1-NZ 2.71Å; E95-K150 PolarHBondContact OE1-NZ 2.92Å; E95-K150 WeakPolarHBondContact OE2-CG 3.22Å; E95-K150 IonicContact OE2-NZ 3.92Å | ||
| 96 | R | 95.6 | Very high | 86.1 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 170.4 | -179.1 | -58 | -168.8 | -175.6 | -87.3 | -4.9 | 111.4 | D123 I124 R148 | R96-D123 PolarHBondContact NH1-O 2.9Å; R96-D123 VanDerWaalsContact NH1-O 3.12Å; R96-I124 CarbonylContact C-O 3.58Å; R96-I124 WeakPolarHBondContact CA-O 3.45Å; R96-R148 HydrophobicContact CB-CG 3.81Å; R96-R148 PolarHBondContact N-O 2.98Å; R96-R148 VanDerWaalsContact N-O 3.15Å; R96-R148 VanDerWaalsContact O-CG 3.22Å; R96-R148 WeakPolarHBondContact O-CG 3.08Å; R96-R148 PolarHBondContact O-N 2.66Å |
| 97 | Y | 97.5 | Very high | 84.5 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.9 | 171.8 | -56.5 | -89 | 0 | 0 | 0 | 110.8 | P67 W85 P87 I94 D123 I124 D126 T127 V145 R146 A147 | P67-Y97 HydrophobicContact CG-CD1 3.95Å; P67-Y97 HydrophobicContact CG-CE1 3.85Å; W85-Y97 AromaticContact CD1-CE1 3.89Å; W85-Y97 AromaticContact CE2-CG 3.91Å; W85-Y97 HydrophobicContact CZ2-CD1 4.36Å; W85-Y97 AromaticContact CZ2-CD2 3.94Å; W85-Y97 HydrophobicContact CZ2-CD2 3.94Å; W85-Y97 AromaticContact CZ2-CG 3.78Å; W85-Y97 HydrophobicContact CZ2-CG 3.78Å; W85-Y97 AromaticContact NE1-CD1 3.28Å; W85-Y97 VanDerWaalsContact NE1-CD1 3.28Å; W85-Y97 AromaticContact NE1-CD2 3.76Å; W85-Y97 AromaticContact NE1-CE1 3.3Å; W85-Y97 VanDerWaalsContact NE1-CE1 3.3Å; W85-Y97 AromaticContact NE1-CE2 3.8Å; W85-Y97 AromaticContact NE1-CG 3.52Å; W85-Y97 AromaticContact NE1-CZ 3.58Å; P87-Y97 WeakPolarHBondContact CG-OH 3.22Å; I94-Y97 HydrophobicContact CD1-CE1 4.46Å; I94-Y97 HydrophobicContact CG2-CD1 4.45Å; I94-Y97 HydrophobicContact CG2-CE1 3.79Å; I94-Y97 HydrophobicContact CG2-CE2 3.97Å; Y97-D123 PolarHBondContact O-N 3.37Å; Y97-I124 PolarHBondContact N-O 2.96Å; Y97-I124 PolarHBondContact O-N 2.84Å; Y97-D126 WeakPolarHBondContact CD2-O 3.35Å; Y97-T127 HydrophobicContact CE2-CG2 4.29Å; Y97-V145 HydrophobicContact CD1-CG2 4.25Å; Y97-R146 VanDerWaalsContact CA-O 3.26Å; Y97-R146 WeakPolarHBondContact CA-O 3.29Å; Y97-A147 HydrophobicContact CD1-CB 3.98Å; Y97-A147 HydrophobicContact CE1-CB 3.84Å |
| 98 | D | 97.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.1 | 164.9 | -65.5 | -16 | 0 | 0 | 0 | 107.6 | K120 I121 S122 D123 V145 R146 R148 | D98-K120 VanDerWaalsContact CG-NZ 3.33Å; D98-K120 IonicContact OD1-NZ 3.76Å; D98-K120 VanDerWaalsContact OD2-CE 3.24Å; D98-K120 WeakPolarHBondContact OD2-CE 3.47Å; D98-K120 IonicContact OD2-NZ 2.82Å; D98-K120 PolarHBondContact OD2-NZ 2.99Å; D98-I121 CarbonylContact C-O 3.56Å; D98-I121 WeakPolarHBondContact CA-O 3.21Å; D98-S122 WeakPolarHBondContact OD1-CA 3.49Å; D98-S122 WeakPolarHBondContact OD1-CB 3.46Å; D98-D123 PolarHBondContact OD1-N 2.83Å; D98-V145 WeakPolarHBondContact O-CA 3.44Å; D98-R146 HydrophobicContact CB-CG 3.89Å; D98-R146 PolarHBondContact N-O 3.12Å; D98-R146 PolarHBondContact O-N 3.35Å; D98-R146 IonicContact OD2-CZ 3.43Å; D98-R146 IonicContact OD2-NE 3.16Å; D98-R146 PolarHBondContact OD2-NE 3.08Å; D98-R146 VanDerWaalsContact OD2-NE 3.16Å; D98-R146 IonicContact OD2-NH2 2.8Å; D98-R146 PolarHBondContact OD2-NH2 2.94Å; D98-R148 WeakPolarHBondContact OD1-CD 3.28Å; D98-R148 IonicContact OD1-NH1 3.87Å; D98-R148 PolarHBondContact OD1-NH1 3.04Å |
| 99 | L | 98 | Very high | 81.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.3 | 173.5 | -178.3 | 146.9 | 0 | 0 | 0 | 109.6 | V83 W85 H101 K120 I121 I124 V129 L131 R144 | V83-L99 HydrophobicContact CB-CD1 3.77Å; V83-L99 HydrophobicContact CG1-CD1 3.86Å; V83-L99 HydrophobicContact CG2-CD1 3.88Å; W85-L99 HydrophobicContact CZ3-CD1 4.1Å; L99-H101 HydrophobicContact CD2-CB 4.3Å; L99-K120 WeakPolarHBondContact O-CA 3.42Å; L99-I121 PolarHBondContact N-O 2.9Å; L99-I121 PolarHBondContact O-N 3.24Å; L99-I124 HydrophobicContact CB-CD1 3.86Å; L99-V129 HydrophobicContact CB-CG1 4.46Å; L99-V129 HydrophobicContact CD1-CG1 3.67Å; L99-V129 HydrophobicContact CG-CG1 4.49Å; L99-L131 HydrophobicContact CD2-CD1 4.36Å; L99-L131 HydrophobicContact CD2-CD2 3.83Å; L99-R144 WeakPolarHBondContact CA-O 3.19Å |
| 100 | E | 97.2 | Very high | 80.8 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.2 | 171.2 | -71.8 | -176.7 | -179.1 | 0 | 0 | 110.3 | W118 E119 K120 V143 R144 F156 | E100-W118 HydrophobicContact CB-CB 4.16Å; E100-W118 HydrophobicContact CB-CD2 4.15Å; E100-W118 HydrophobicContact CB-CE3 3.66Å; E100-W118 HydrophobicContact CB-CG 4.4Å; E100-W118 HydrophobicContact CB-CZ3 4.35Å; E100-W118 HydrophobicContact CG-CB 4.35Å; E100-E119 CarbonylContact C-O 3.59Å; E100-E119 VanDerWaalsContact CA-O 3.28Å; E100-E119 WeakPolarHBondContact CA-O 3.36Å; E100-K120 HydrophobicContact CG-CB 4.24Å; E100-K120 HydrophobicContact CG-CG 4.03Å; E100-V143 CarbonylContact O-C 3.59Å; E100-V143 WeakPolarHBondContact O-CA 3.35Å; E100-R144 HydrophobicContact CB-CG 3.94Å; E100-R144 PolarHBondContact N-O 3.47Å; E100-R144 PolarHBondContact O-N 3.32Å; E100-R144 IonicContact OE2-CZ 3.2Å; E100-R144 IonicContact OE2-NE 2.93Å; E100-R144 PolarHBondContact OE2-NE 2.76Å; E100-R144 IonicContact OE2-NH2 2.66Å; E100-R144 PolarHBondContact OE2-NH2 3.43Å; E100-F156 HydrophobicContact CB-CE1 4.22Å; E100-F156 HydrophobicContact CB-CZ 4.49Å; E100-F156 HydrophobicContact CG-CE1 3.89Å; E100-F156 HydrophobicContact CG-CZ 3.77Å; E100-F156 VanDerWaalsContact OE1-CZ 3.29Å; E100-F156 WeakPolarHBondContact OE1-CZ 3.33Å |
| 101 | H | 94.7 | Very high | 80.4 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.06 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.6 | 175.4 | 73.6 | -64.2 | 0 | 0 | 0 | 111.9 | L99 E119 L131 L134 I141 V142 V143 | L99-H101 HydrophobicContact CD2-CB 4.3Å; H101-E119 WeakPolarHBondContact CE1-CB 3.3Å; H101-E119 IonicContact CE1-OE2 3.92Å; H101-E119 PolarHBondContact N-O 3.41Å; H101-E119 PolarHBondContact ND1-O 2.81Å; H101-E119 VanDerWaalsContact ND1-O 3.1Å; H101-E119 IonicContact NE2-OE2 3.04Å; H101-E119 PolarHBondContact O-N 2.84Å; H101-L131 HydrophobicContact CB-CD1 3.85Å; H101-L134 WeakPolarHBondContact NE2-CD2 3.45Å; H101-I141 HydrophobicContact CB-CG2 4.14Å; H101-V142 CarbonylContact C-O 3.57Å; H101-V142 WeakPolarHBondContact CA-O 3.34Å; H101-V143 HydrophobicContact CB-CG1 3.93Å |
| 102 | R | 91.9 | Very high | 80 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.038 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.5 | 174.7 | 64.8 | -177.1 | -178.4 | 153.9 | 12.4 | 111.3 | E115 W118 I141 V142 | R102-E115 IonicContact CZ-OE2 2.75Å; R102-E115 IonicContact NH1-OE2 3Å; R102-E115 PolarHBondContact NH1-OE2 3.03Å; R102-E115 IonicContact NH2-OE1 3.97Å; R102-E115 IonicContact NH2-OE2 2.73Å; R102-E115 PolarHBondContact NH2-OE2 2.86Å; R102-W118 HydrophobicContact CB-CD2 4.38Å; R102-W118 HydrophobicContact CB-CE3 4.06Å; R102-W118 HydrophobicContact CB-CZ3 4.46Å; R102-W118 HydrophobicContact CG-CD2 4.12Å; R102-W118 HydrophobicContact CG-CE3 3.81Å; R102-W118 HydrophobicContact CG-CH2 4.06Å; R102-W118 HydrophobicContact CG-CZ2 4.32Å; R102-W118 HydrophobicContact CG-CZ3 3.79Å; R102-W118 VanDerWaalsContact NE-CZ2 3.26Å; R102-I141 CarbonylContact O-C 3.59Å; R102-I141 WeakPolarHBondContact O-CA 3.38Å; R102-V142 HydrophobicContact CG-CB 4.15Å; R102-V142 PolarHBondContact N-O 2.99Å; R102-V142 PolarHBondContact O-N 3.17Å |
| 103 | K | 88.4 | Confident | 79.1 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 27% | 0.265 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 141.6 | 171.8 | -69.6 | 173.7 | 179.1 | -171.2 | 0 | 111.3 | K135 D137 S138 I141 | K103-K135 WeakPolarHBondContact CE-O 3.45Å; K103-D137 VanDerWaalsContact CD-OD1 3.25Å; K103-D137 WeakPolarHBondContact CD-OD1 3.21Å; K103-D137 WeakPolarHBondContact CE-OD1 3.38Å; K103-D137 IonicContact NZ-OD1 3.74Å; K103-D137 PolarHBondContact NZ-OD1 2.76Å; K103-D137 IonicContact NZ-OD2 3.9Å; K103-D137 PolarHBondContact NZ-OD2 2.89Å; K103-S138 WeakPolarHBondContact CB-OG 3.3Å; K103-I141 HydrophobicContact CB-CD1 4.4Å; K103-I141 HydrophobicContact CG-CD1 3.58Å |
| 104 | A | 84.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P139 F140 V142 | A104-P139 WeakPolarHBondContact O-CD 3.23Å; A104-F140 HydrophobicContact CB-CB 4.37Å; A104-F140 PolarHBondContact N-O 2.88Å; A104-F140 PolarHBondContact O-N 3.18Å; A104-F140 VanDerWaalsContact O-N 3.12Å; A104-V142 HydrophobicContact CB-CG2 3.57Å |
| 105 | N | 81 | Confident | 76.7 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -89.3 | -11.3 | 176.6 | -68.6 | -23.3 | 0 | 0 | 0 | 113.3 | P139 | N105-P139 WeakPolarHBondContact O-CG 3.38Š|
| 106 | H | 76.8 | Confident | 75.7 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 54% | 0.542 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -133 | 142.3 | -176.3 | -50.7 | -50.4 | 0 | 0 | 0 | 108.8 | G108 F140 | H106-G108 PolarHBondContact O-N 3.12Å; H106-F140 VanDerWaalsContact C-CD2 3.47Å |
| 107 | G | 62.8 | Low | 75.2 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -73.6 | -2.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | A161 | G107-A161 WeakPolarHBondContact O-CB 3.45Š|
| 108 | G | 61.7 | Low | 74.9 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -83.2 | 143.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H106 L110 | H106-G108 PolarHBondContact O-N 3.12Å; G108-L110 PolarHBondContact O-N 2.86Å |
| 109 | A | 52.3 | Low | 74.8 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -70.3 | -4.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | P159 | A109-P159 HydrophobicContact CB-CG 3.75Š|
| 110 | L | 55.7 | Low | 74.7 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 81% | 0.806 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -79.7 | 128.9 | -177.4 | -67.4 | 173.7 | 0 | 0 | 0 | 110.5 | G108 A112 | G108-L110 PolarHBondContact O-N 2.86Å; L110-A112 PolarHBondContact O-N 2.88Å |
| 111 | R | 57.1 | Low | 74.6 | Confident | 199 Ų | 199 | 75.1 Ų | 75.1 | 75% | 0.751 | 44% | 0.444 | S | S | * | . | trans | -58.4 | 106.9 | 173.4 | -96.9 | -178.5 | 158.5 | 179.8 | -5.7 | 110.5 | E115 | R111-E115 WeakPolarHBondContact CA-OE2 3.31Š| ||
| 112 | A | 54.6 | Low | 74.7 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | trans | -72.8 | 146.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | L110 G114 E115 | L110-A112 PolarHBondContact O-N 2.88Å; A112-G114 PolarHBondContact O-N 2.78Å; A112-E115 HydrophobicContact CB-CG 4.12Å; A112-E115 PolarHBondContact N-OE1 3.3Å; A112-E115 WeakPolarHBondContact O-CG 3.32Å; A112-E115 PolarHBondContact O-N 2.77Å | ||
| 113 | V | 50.3 | Low | 74.8 | Confident | 159 Ų | 159 | 80.1 Ų | 80.1 | 96% | 0.964 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 120.3 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | ||
| 114 | G | 57.9 | Low | 75.2 | Confident | 80 Ų | 80 | 78 Ų | 78 | 83% | 0.825 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | 9.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A112 | A112-G114 PolarHBondContact O-N 2.78Š|
| 115 | E | 64.9 | Low | 75.7 | Confident | 45 Ų | 45 | 82 Ų | 82 | 21% | 0.21 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 142.8 | 175.6 | -76.4 | 177.9 | 170.3 | 0 | 0 | 113.6 | R102 R111 A112 | R102-E115 IonicContact CZ-OE2 2.75Å; R102-E115 IonicContact NH1-OE2 3Å; R102-E115 PolarHBondContact NH1-OE2 3.03Å; R102-E115 IonicContact NH2-OE1 3.97Å; R102-E115 IonicContact NH2-OE2 2.73Å; R102-E115 PolarHBondContact NH2-OE2 2.86Å; R111-E115 WeakPolarHBondContact CA-OE2 3.31Å; A112-E115 HydrophobicContact CB-CG 4.12Å; A112-E115 PolarHBondContact N-OE1 3.3Å; A112-E115 WeakPolarHBondContact O-CG 3.32Å; A112-E115 PolarHBondContact O-N 2.77Å |
| 116 | A | 69.3 | Low | 76.4 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 117 | G | 85.1 | Confident | 77.4 | Confident | 60 Ų | 60 | 79 Ų | 79 | 62% | 0.619 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -61 | 157.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 118 | W | 91.8 | Very high | 79 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 22% | 0.22 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 127.9 | 173.9 | -69.6 | 100.2 | 0 | 0 | 0 | 110.4 | E100 R102 V142 R144 P159 | E100-W118 HydrophobicContact CB-CB 4.16Å; E100-W118 HydrophobicContact CB-CD2 4.15Å; E100-W118 HydrophobicContact CB-CE3 3.66Å; E100-W118 HydrophobicContact CB-CG 4.4Å; E100-W118 HydrophobicContact CB-CZ3 4.35Å; E100-W118 HydrophobicContact CG-CB 4.35Å; R102-W118 HydrophobicContact CB-CD2 4.38Å; R102-W118 HydrophobicContact CB-CE3 4.06Å; R102-W118 HydrophobicContact CB-CZ3 4.46Å; R102-W118 HydrophobicContact CG-CD2 4.12Å; R102-W118 HydrophobicContact CG-CE3 3.81Å; R102-W118 HydrophobicContact CG-CH2 4.06Å; R102-W118 HydrophobicContact CG-CZ2 4.32Å; R102-W118 HydrophobicContact CG-CZ3 3.79Å; R102-W118 VanDerWaalsContact NE-CZ2 3.26Å; W118-V142 HydrophobicContact CH2-CB 4.39Å; W118-V142 HydrophobicContact CH2-CG1 3.85Å; W118-V142 HydrophobicContact CZ3-CG1 4.43Å; W118-V142 WeakPolarHBondContact CZ3-O 3.42Å; W118-R144 HydrophobicContact CE3-CG 4.34Å; W118-R144 HydrophobicContact CH2-CG 3.88Å; W118-R144 HydrophobicContact CZ2-CG 4.44Å; W118-R144 HydrophobicContact CZ3-CG 3.82Å; W118-P159 HydrophobicContact CH2-CB 4.45Å |
| 119 | E | 94.6 | Very high | 80.8 | Confident | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.5 | 168.4 | -70.1 | -177.1 | -140.8 | 0 | 0 | 109.5 | E100 H101 | E100-E119 CarbonylContact C-O 3.59Å; E100-E119 VanDerWaalsContact CA-O 3.28Å; E100-E119 WeakPolarHBondContact CA-O 3.36Å; H101-E119 WeakPolarHBondContact CE1-CB 3.3Å; H101-E119 IonicContact CE1-OE2 3.92Å; H101-E119 PolarHBondContact N-O 3.41Å; H101-E119 PolarHBondContact ND1-O 2.81Å; H101-E119 VanDerWaalsContact ND1-O 3.1Å; H101-E119 IonicContact NE2-OE2 3.04Å; H101-E119 PolarHBondContact O-N 2.84Å |
| 120 | K | 95.1 | Very high | 82.9 | Confident | 94 Ų | 94 | 81.4 Ų | 81.4 | 41% | 0.409 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.1 | -167.8 | -168.4 | -175.8 | -171.9 | -137.9 | 0 | 112.7 | D98 L99 E100 S122 | D98-K120 VanDerWaalsContact CG-NZ 3.33Å; D98-K120 IonicContact OD1-NZ 3.76Å; D98-K120 VanDerWaalsContact OD2-CE 3.24Å; D98-K120 WeakPolarHBondContact OD2-CE 3.47Å; D98-K120 IonicContact OD2-NZ 2.82Å; D98-K120 PolarHBondContact OD2-NZ 2.99Å; L99-K120 WeakPolarHBondContact O-CA 3.42Å; E100-K120 HydrophobicContact CG-CB 4.24Å; E100-K120 HydrophobicContact CG-CG 4.03Å; K120-S122 WeakPolarHBondContact CD-OG 3.25Å; K120-S122 WeakPolarHBondContact CE-OG 3.34Å; K120-S122 PolarHBondContact NZ-OG 2.9Å |
| 121 | I | 96.6 | Very high | 84.7 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.6 | 162.3 | -55.2 | -176 | 0 | 0 | 0 | 107.3 | D98 L99 I124 L131 | D98-I121 CarbonylContact C-O 3.56Å; D98-I121 WeakPolarHBondContact CA-O 3.21Å; L99-I121 PolarHBondContact N-O 2.9Å; L99-I121 PolarHBondContact O-N 3.24Å; I121-I124 HydrophobicContact CB-CD1 4.3Å; I121-I124 HydrophobicContact CG2-CD1 3.9Å; I121-I124 HydrophobicContact CG2-CG1 3.92Å; I121-L131 HydrophobicContact CD1-CD2 3.29Å; I121-L131 HydrophobicContact CG1-CD2 4.3Å |
| 122 | S | 96 | Very high | 86.2 | Confident | 47 Ų | 47 | 69 Ų | 69 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 167.8 | -176.5 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | D98 K120 I124 | D98-S122 WeakPolarHBondContact OD1-CA 3.49Å; D98-S122 WeakPolarHBondContact OD1-CB 3.46Å; K120-S122 WeakPolarHBondContact CD-OG 3.25Å; K120-S122 WeakPolarHBondContact CE-OG 3.34Å; K120-S122 PolarHBondContact NZ-OG 2.9Å; S122-I124 PolarHBondContact O-N 2.77Å |
| 123 | D | 94.8 | Very high | 87.3 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.9 | 24.5 | 168.5 | -56.3 | -43.9 | 0 | 0 | 0 | 115.5 | R96 Y97 D98 R148 | R96-D123 PolarHBondContact NH1-O 2.9Å; R96-D123 VanDerWaalsContact NH1-O 3.12Å; Y97-D123 PolarHBondContact O-N 3.37Å; D98-D123 PolarHBondContact OD1-N 2.83Å; D123-R148 IonicContact OD1-CZ 3.32Å; D123-R148 IonicContact OD1-NH1 3.91Å; D123-R148 PolarHBondContact OD1-NH1 2.99Å; D123-R148 IonicContact OD1-NH2 3.5Å |
| 124 | I | 96.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.2 | 177.7 | -54.3 | 162 | 0 | 0 | 0 | 109.1 | W85 R96 Y97 L99 I121 S122 D126 V129 | W85-I124 HydrophobicContact CH2-CD1 4.23Å; W85-I124 HydrophobicContact CH2-CG2 4.05Å; W85-I124 HydrophobicContact CZ2-CG2 4.13Å; R96-I124 CarbonylContact C-O 3.58Å; R96-I124 WeakPolarHBondContact CA-O 3.45Å; Y97-I124 PolarHBondContact N-O 2.96Å; Y97-I124 PolarHBondContact O-N 2.84Å; L99-I124 HydrophobicContact CB-CD1 3.86Å; I121-I124 HydrophobicContact CB-CD1 4.3Å; I121-I124 HydrophobicContact CG2-CD1 3.9Å; I121-I124 HydrophobicContact CG2-CG1 3.92Å; S122-I124 PolarHBondContact O-N 2.77Å; I124-D126 WeakPolarHBondContact CG2-O 3.47Å; I124-V129 HydrophobicContact CD1-CB 4.06Å; I124-V129 HydrophobicContact CD1-CG1 3.98Å; I124-V129 HydrophobicContact CD1-CG2 4.17Å; I124-V129 HydrophobicContact CG1-CG2 4.43Å; I124-V129 HydrophobicContact CG2-CB 4.4Å |
| 125 | T | 95.1 | Very high | 89.6 | Confident | 85 Ų | 85 | 66 Ų | 66 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | trans | -96.4 | -30.4 | 178.8 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 126 | D | 96.2 | Very high | 90.3 | Very high | 105 Ų | 105 | 64.1 Ų | 64.1 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -80.8 | 165.9 | 179.6 | -59.9 | -54.5 | 0 | 0 | 0 | 111.7 | W85 Y97 I124 Q128 | W85-D126 WeakPolarHBondContact CZ2-O 3.47Å; Y97-D126 WeakPolarHBondContact CD2-O 3.35Å; I124-D126 WeakPolarHBondContact CG2-O 3.47Å; D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.81Å |
| 127 | T | 96.6 | Very high | 90.5 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 36% | 0.356 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -91 | 20.6 | 173.8 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | W85 P87 Y97 | W85-T127 PolarHBondContact N-O 3.32Å; W85-T127 WeakPolarHBondContact O-CB 3.24Å; P87-T127 HydrophobicContact CG-CG2 3.8Å; Y97-T127 HydrophobicContact CE2-CG2 4.29Å |
| 128 | Q | 97.5 | Very high | 90.2 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151.9 | 174 | 63.2 | 174.9 | 56.5 | 0 | 0 | 110.3 | V83 T84 D126 | V83-Q128 CarbonylContact O-C 3.47Å; V83-Q128 WeakPolarHBondContact O-CA 3.26Å; T84-Q128 HydrophobicContact CG2-CB 4.46Å; D126-Q128 HydrophobicContact CB-CG 4.49Å; D126-Q128 PolarHBondContact O-N 2.81Å |
| 129 | V | 97.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 63 Ų | 63 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147.9 | 170.3 | 73 | 0 | 0 | 0 | 0 | 110.1 | T82 V83 W85 L99 I124 | T82-V129 WeakPolarHBondContact CA-O 3.49Å; V83-V129 PolarHBondContact N-O 2.85Å; V83-V129 PolarHBondContact O-N 2.9Å; W85-V129 HydrophobicContact CH2-CB 4.13Å; W85-V129 HydrophobicContact CH2-CG1 4Å; W85-V129 HydrophobicContact CZ3-CB 4.38Å; W85-V129 HydrophobicContact CZ3-CG1 3.93Å; L99-V129 HydrophobicContact CB-CG1 4.46Å; L99-V129 HydrophobicContact CD1-CG1 3.67Å; L99-V129 HydrophobicContact CG-CG1 4.49Å; I124-V129 HydrophobicContact CD1-CB 4.06Å; I124-V129 HydrophobicContact CD1-CG1 3.98Å; I124-V129 HydrophobicContact CD1-CG2 4.17Å; I124-V129 HydrophobicContact CG1-CG2 4.43Å; I124-V129 HydrophobicContact CG2-CB 4.4Å |
| 130 | T | 96.7 | Very high | 89.2 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.9 | 173.9 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | C80 I81 T82 | C80-T130 HydrophobicContact CB-CG2 4.01Å; I81-T130 WeakPolarHBondContact O-CA 3.08Å; T82-T130 PolarHBondContact OG1-OG1 2.9Å |
| 131 | L | 93.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.2 | 162.9 | -54.5 | -179 | 0 | 0 | 0 | 107.5 | C80 I81 V83 L99 H101 I121 L134 V143 | C80-L131 CarbonylContact C-O 3.56Å; C80-L131 WeakPolarHBondContact CA-O 3.38Å; C80-L131 VanDerWaalsContact CB-O 3.31Å; C80-L131 WeakPolarHBondContact CB-O 3.48Å; I81-L131 HydrophobicContact CB-CB 4.22Å; I81-L131 HydrophobicContact CB-CD1 4.21Å; I81-L131 HydrophobicContact CB-CG 4.48Å; I81-L131 PolarHBondContact N-O 2.75Å; I81-L131 PolarHBondContact O-N 2.86Å; V83-L131 HydrophobicContact CG2-CD1 4.44Å; L99-L131 HydrophobicContact CD2-CD1 4.36Å; L99-L131 HydrophobicContact CD2-CD2 3.83Å; H101-L131 HydrophobicContact CB-CD1 3.85Å; I121-L131 HydrophobicContact CD1-CD2 3.29Å; I121-L131 HydrophobicContact CG1-CD2 4.3Å; L131-L134 HydrophobicContact CB-CD1 3.7Å; L131-L134 HydrophobicContact CB-CD2 4.38Å; L131-L134 HydrophobicContact CB-CG 4.16Å; L131-L134 HydrophobicContact CD1-CD1 4.21Å; L131-V143 HydrophobicContact CD1-CG1 4.15Å |
| 132 | S | 88.4 | Confident | 88.8 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | trans | -130.3 | 156.6 | -178.2 | 60.7 | 0 | 0 | 0 | 0 | 111 | L134 | S132-L134 PolarHBondContact O-N 3.01Š| ||
| 133 | G | 78.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 69.7 | 19.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N79 | N79-G133 PolarHBondContact O-N 3.38Š|
| 134 | L | 81 | Confident | 88.9 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | trans | -66.9 | 145 | 176.4 | -62.1 | 175.6 | 0 | 0 | 0 | 109.7 | N79 I81 H101 L131 S132 F136 | N79-L134 WeakPolarHBondContact CB-O 3.45Å; N79-L134 PolarHBondContact ND2-O 3.25Å; N79-L134 WeakPolarHBondContact O-CB 3.45Å; N79-L134 PolarHBondContact O-N 3.23Å; N79-L134 PolarHBondContact OD1-O 3.2Å; N79-L134 VanDerWaalsContact OD1-O 3.11Å; I81-L134 HydrophobicContact CB-CD1 4.12Å; I81-L134 HydrophobicContact CD1-CD1 3.69Å; I81-L134 HydrophobicContact CG1-CD1 3.71Å; H101-L134 WeakPolarHBondContact NE2-CD2 3.45Å; L131-L134 HydrophobicContact CB-CD1 3.7Å; L131-L134 HydrophobicContact CB-CD2 4.38Å; L131-L134 HydrophobicContact CB-CG 4.16Å; L131-L134 HydrophobicContact CD1-CD1 4.21Å; S132-L134 PolarHBondContact O-N 3.01Å; L134-F136 HydrophobicContact CB-CD1 4.02Å; L134-F136 HydrophobicContact CB-CE1 3.78Å; L134-F136 HydrophobicContact CD1-CE1 3.93Å | ||
| 135 | K | 75.4 | Confident | 88.9 | Confident | 127 Ų | 127 | 48.9 Ų | 48.9 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | trans | -95.1 | 116 | 163.1 | -67.9 | -173.5 | 179.2 | -174.6 | 0 | 107.8 | K103 D137 | K103-K135 WeakPolarHBondContact CE-O 3.45Å; K135-D137 HydrophobicContact CB-CB 4.49Å; K135-D137 PolarHBondContact O-N 3.21Å | ||
| 136 | F | 79.4 | Confident | 89 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | trans | -78.1 | 54.9 | 173 | -68.7 | -2.2 | 0 | 0 | 0 | 110.5 | V76 I81 L134 S138 T164 A166 T168 | V76-F136 HydrophobicContact CG1-CE2 3.63Å; V76-F136 HydrophobicContact CG1-CZ 3.61Å; I81-F136 HydrophobicContact CD1-CE1 4.15Å; I81-F136 HydrophobicContact CD1-CZ 4.45Å; I81-F136 HydrophobicContact CG1-CE1 4.07Å; I81-F136 HydrophobicContact CG1-CZ 4.01Å; L134-F136 HydrophobicContact CB-CD1 4.02Å; L134-F136 HydrophobicContact CB-CE1 3.78Å; L134-F136 HydrophobicContact CD1-CE1 3.93Å; F136-S138 VanDerWaalsContact C-N 3.32Å; F136-T164 HydrophobicContact CB-CG2 4.17Å; F136-T164 HydrophobicContact CD1-CG2 3.4Å; F136-T164 VanDerWaalsContact CD1-CG2 3.4Å; F136-T164 HydrophobicContact CD2-CG2 3.88Å; F136-T164 HydrophobicContact CE1-CG2 3.63Å; F136-T164 HydrophobicContact CE2-CG2 4.09Å; F136-T164 HydrophobicContact CG-CG2 3.54Å; F136-T164 HydrophobicContact CZ-CG2 3.97Å; F136-A166 HydrophobicContact CB-CB 3.3Å; F136-A166 HydrophobicContact CD2-CB 4.1Å; F136-A166 HydrophobicContact CG-CB 4.23Å; F136-A166 WeakPolarHBondContact O-CB 3.47Å; F136-T168 VanDerWaalsContact O-CG2 3.27Å; F136-T168 WeakPolarHBondContact O-CG2 3.46Å | ||
| 137 | D | 72.5 | Confident | 88.9 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | trans | -91.6 | 4.7 | 178.7 | 57.9 | 12.3 | 0 | 0 | 0 | 113 | K103 K135 | K103-D137 VanDerWaalsContact CD-OD1 3.25Å; K103-D137 WeakPolarHBondContact CD-OD1 3.21Å; K103-D137 WeakPolarHBondContact CE-OD1 3.38Å; K103-D137 IonicContact NZ-OD1 3.74Å; K103-D137 PolarHBondContact NZ-OD1 2.76Å; K103-D137 IonicContact NZ-OD2 3.9Å; K103-D137 PolarHBondContact NZ-OD2 2.89Å; K135-D137 HydrophobicContact CB-CB 4.49Å; K135-D137 PolarHBondContact O-N 3.21Å | ||
| 138 | S | 78.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -125.8 | 156.4 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | K103 F136 F140 T164 | K103-S138 WeakPolarHBondContact CB-OG 3.3Å; F136-S138 VanDerWaalsContact C-N 3.32Å; S138-F140 VanDerWaalsContact C-N 3.25Å; S138-F140 PolarHBondContact O-N 3.24Å; S138-T164 PolarHBondContact O-OG1 2.84Å |
| 139 | P | 79 | Confident | 88.4 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -72.2 | -18.8 | 178.8 | 27.6 | -34.6 | 0 | 0 | 0 | 113.4 | A104 N105 T164 | A104-P139 WeakPolarHBondContact O-CD 3.23Å; N105-P139 WeakPolarHBondContact O-CG 3.38Å; P139-T164 PolarHBondContact O-N 2.92Å; P139-T164 PolarHBondContact O-OG1 3.12Å; P139-T164 VanDerWaalsContact O-OG1 3.08Å |
| 140 | F | 86.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 148.6 | 176.8 | -54.5 | -82.3 | 0 | 0 | 0 | 112.9 | A104 H106 S138 A161 M162 E163 T164 | A104-F140 HydrophobicContact CB-CB 4.37Å; A104-F140 PolarHBondContact N-O 2.88Å; A104-F140 PolarHBondContact O-N 3.18Å; A104-F140 VanDerWaalsContact O-N 3.12Å; H106-F140 VanDerWaalsContact C-CD2 3.47Å; S138-F140 VanDerWaalsContact C-N 3.25Å; S138-F140 PolarHBondContact O-N 3.24Å; F140-A161 HydrophobicContact CB-CB 4.42Å; F140-A161 HydrophobicContact CD1-CB 4.18Å; F140-A161 HydrophobicContact CG-CB 4.44Å; F140-M162 CarbonylContact C-O 3.55Å; F140-M162 VanDerWaalsContact CA-O 3.23Å; F140-M162 WeakPolarHBondContact CA-O 3.01Å; F140-E163 HydrophobicContact CD1-CB 4.23Å; F140-E163 HydrophobicContact CE1-CB 4.05Å; F140-E163 HydrophobicContact CE1-CG 4.2Å; F140-T164 PolarHBondContact N-OG1 3Å |
| 141 | I | 89.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.9 | 157.7 | -60.6 | -67.4 | 0 | 0 | 0 | 107.5 | I81 H101 R102 K103 V143 M162 T164 | I81-I141 HydrophobicContact CD1-CB 3.52Å; I81-I141 HydrophobicContact CD1-CG1 3.69Å; I81-I141 HydrophobicContact CD1-CG2 3.79Å; H101-I141 HydrophobicContact CB-CG2 4.14Å; R102-I141 CarbonylContact O-C 3.59Å; R102-I141 WeakPolarHBondContact O-CA 3.38Å; K103-I141 HydrophobicContact CB-CD1 4.4Å; K103-I141 HydrophobicContact CG-CD1 3.58Å; I141-V143 HydrophobicContact CG2-CG1 4.15Å; I141-M162 PolarHBondContact N-O 3.23Å; I141-M162 WeakPolarHBondContact O-CB 3.42Å; I141-M162 PolarHBondContact O-N 2.81Å; I141-T164 HydrophobicContact CG1-CG2 3.73Å |
| 142 | V | 93.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.7 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | H101 R102 A104 W118 P159 V160 A161 | H101-V142 CarbonylContact C-O 3.57Å; H101-V142 WeakPolarHBondContact CA-O 3.34Å; R102-V142 HydrophobicContact CG-CB 4.15Å; R102-V142 PolarHBondContact N-O 2.99Å; R102-V142 PolarHBondContact O-N 3.17Å; A104-V142 HydrophobicContact CB-CG2 3.57Å; W118-V142 HydrophobicContact CH2-CB 4.39Å; W118-V142 HydrophobicContact CH2-CG1 3.85Å; W118-V142 HydrophobicContact CZ3-CG1 4.43Å; W118-V142 WeakPolarHBondContact CZ3-O 3.42Å; V142-P159 HydrophobicContact CG1-CB 3.64Å; V142-V160 CarbonylContact C-O 3.58Å; V142-V160 WeakPolarHBondContact CA-O 3.42Å; V142-A161 HydrophobicContact CG2-CB 4.18Å |
| 143 | V | 95.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.9 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | I69 V83 E100 H101 L131 I141 P159 V160 M162 | I69-V143 HydrophobicContact CD1-CG2 3.74Å; V83-V143 HydrophobicContact CG1-CG2 4.16Å; V83-V143 HydrophobicContact CG2-CB 4.48Å; V83-V143 HydrophobicContact CG2-CG1 4.08Å; V83-V143 HydrophobicContact CG2-CG2 4.4Å; E100-V143 CarbonylContact O-C 3.59Å; E100-V143 WeakPolarHBondContact O-CA 3.35Å; H101-V143 HydrophobicContact CB-CG1 3.93Å; L131-V143 HydrophobicContact CD1-CG1 4.15Å; I141-V143 HydrophobicContact CG2-CG1 4.15Å; V143-P159 CarbonylContact O-C 3.55Å; V143-P159 VanDerWaalsContact O-CA 3.32Å; V143-P159 WeakPolarHBondContact O-CA 3.06Å; V143-V160 HydrophobicContact CG2-CB 4.16Å; V143-V160 PolarHBondContact N-O 2.84Å; V143-V160 PolarHBondContact O-N 2.97Å; V143-M162 HydrophobicContact CG1-CE 4.44Å; V143-M162 HydrophobicContact CG2-CE 3.53Å; V143-M162 HydrophobicContact CG2-CG 4.44Å |
| 144 | R | 97 | Very high | 87.4 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 147.3 | 168.6 | 61.7 | -177.4 | -174.2 | 173.6 | 2.2 | 110.3 | L99 E100 W118 F156 | L99-R144 WeakPolarHBondContact CA-O 3.19Å; E100-R144 HydrophobicContact CB-CG 3.94Å; E100-R144 PolarHBondContact N-O 3.47Å; E100-R144 PolarHBondContact O-N 3.32Å; E100-R144 IonicContact OE2-CZ 3.2Å; E100-R144 IonicContact OE2-NE 2.93Å; E100-R144 PolarHBondContact OE2-NE 2.76Å; E100-R144 IonicContact OE2-NH2 2.66Å; E100-R144 PolarHBondContact OE2-NH2 3.43Å; W118-R144 HydrophobicContact CE3-CG 4.34Å; W118-R144 HydrophobicContact CH2-CG 3.88Å; W118-R144 HydrophobicContact CZ2-CG 4.44Å; W118-R144 HydrophobicContact CZ3-CG 3.82Å; R144-F156 HydrophobicContact CB-CB 4.31Å; R144-F156 HydrophobicContact CB-CD1 4.09Å; R144-F156 HydrophobicContact CG-CB 4.29Å; R144-F156 HydrophobicContact CG-CD1 3.58Å; R144-F156 HydrophobicContact CG-CE1 4.08Å; R144-F156 HydrophobicContact CG-CG 4.03Å |
| 145 | V | 97.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.8 | -178.1 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | P67 I69 W85 Y97 D98 F156 S157 | P67-V145 HydrophobicContact CB-CG1 3.93Å; P67-V145 HydrophobicContact CG-CG1 4.16Å; I69-V145 HydrophobicContact CD1-CG1 4.26Å; I69-V145 HydrophobicContact CG1-CG1 3.79Å; W85-V145 HydrophobicContact CB-CG1 4.09Å; W85-V145 HydrophobicContact CD2-CB 4.45Å; W85-V145 HydrophobicContact CD2-CG1 4.26Å; W85-V145 HydrophobicContact CD2-CG2 3.89Å; W85-V145 HydrophobicContact CE3-CG2 4.24Å; W85-V145 HydrophobicContact CG-CG1 4.03Å; W85-V145 HydrophobicContact CG-CG2 4.32Å; W85-V145 HydrophobicContact CH2-CG2 4.41Å; W85-V145 HydrophobicContact CZ2-CG2 4.06Å; W85-V145 HydrophobicContact CZ3-CG2 4.49Å; Y97-V145 HydrophobicContact CD1-CG2 4.25Å; D98-V145 WeakPolarHBondContact O-CA 3.44Å; V145-F156 CarbonylContact O-C 3.6Å; V145-F156 WeakPolarHBondContact O-CA 2.98Å; V145-S157 PolarHBondContact N-OG 2.86Å; V145-S157 VanDerWaalsContact N-OG 3.12Å; V145-S157 WeakPolarHBondContact O-CB 3.3Å; V145-S157 PolarHBondContact O-N 2.86Å |
| 146 | R | 96.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.1 | 170.2 | 66.4 | 177.3 | -175.2 | -172.4 | 4.1 | 111 | Y97 D98 G154 D155 F156 | Y97-R146 VanDerWaalsContact CA-O 3.26Å; Y97-R146 WeakPolarHBondContact CA-O 3.29Å; D98-R146 HydrophobicContact CB-CG 3.89Å; D98-R146 PolarHBondContact N-O 3.12Å; D98-R146 PolarHBondContact O-N 3.35Å; D98-R146 IonicContact OD2-CZ 3.43Å; D98-R146 IonicContact OD2-NE 3.16Å; D98-R146 PolarHBondContact OD2-NE 3.08Å; D98-R146 VanDerWaalsContact OD2-NE 3.16Å; D98-R146 IonicContact OD2-NH2 2.8Å; D98-R146 PolarHBondContact OD2-NH2 2.94Å; R146-G154 WeakPolarHBondContact CD-O 3.35Å; R146-D155 VanDerWaalsContact CB-O 3.3Å; R146-D155 WeakPolarHBondContact CB-O 3.42Å; R146-F156 HydrophobicContact CB-CD1 3.73Å; R146-F156 HydrophobicContact CB-CE1 3.99Å; R146-F156 HydrophobicContact CB-CG 4.06Å; R146-F156 HydrophobicContact CG-CD1 3.92Å; R146-F156 HydrophobicContact CG-CE1 3.63Å; R146-F156 HydrophobicContact CG-CE2 4.45Å; R146-F156 HydrophobicContact CG-CG 4.45Å; R146-F156 HydrophobicContact CG-CZ 3.91Å |
| 147 | A | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 151.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P64 P67 I94 Y97 G154 | P64-A147 HydrophobicContact CB-CB 3.57Å; P64-A147 HydrophobicContact CG-CB 4.45Å; P67-A147 HydrophobicContact CG-CB 3.99Å; I94-A147 HydrophobicContact CD1-CB 4.06Å; I94-A147 HydrophobicContact CG1-CB 4.02Å; I94-A147 HydrophobicContact CG2-CB 3.85Å; Y97-A147 HydrophobicContact CD1-CB 3.98Å; Y97-A147 HydrophobicContact CE1-CB 3.84Å; A147-G154 PolarHBondContact O-N 2.93Å |
| 148 | R | 92.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.8 | 175.4 | 58.6 | -177.4 | -66.9 | -163.7 | -6 | 111.7 | E95 R96 D98 D123 A152 A153 | E95-R148 PolarHBondContact N-O 3.19Å; R96-R148 HydrophobicContact CB-CG 3.81Å; R96-R148 PolarHBondContact N-O 2.98Å; R96-R148 VanDerWaalsContact N-O 3.15Å; R96-R148 VanDerWaalsContact O-CG 3.22Å; R96-R148 WeakPolarHBondContact O-CG 3.08Å; R96-R148 PolarHBondContact O-N 2.66Å; D98-R148 WeakPolarHBondContact OD1-CD 3.28Å; D98-R148 IonicContact OD1-NH1 3.87Å; D98-R148 PolarHBondContact OD1-NH1 3.04Å; D123-R148 IonicContact OD1-CZ 3.32Å; D123-R148 IonicContact OD1-NH1 3.91Å; D123-R148 PolarHBondContact OD1-NH1 2.99Å; D123-R148 IonicContact OD1-NH2 3.5Å; R148-A152 WeakPolarHBondContact CA-O 3.37Å; R148-A153 HydrophobicContact CB-CB 3.98Å |
| 149 | N | 90.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | trans | -126.6 | -174.3 | 173.4 | 72.2 | 16.5 | 0 | 0 | 0 | 110.1 | S62 P64 P93 A151 A152 | S62-N149 PolarHBondContact O-ND2 3.39Å; P64-N149 HydrophobicContact CG-CB 3.94Å; P93-N149 WeakPolarHBondContact O-CB 3.46Å; N149-A151 PolarHBondContact O-N 2.88Å; N149-A151 PolarHBondContact OD1-N 2.57Å; N149-A152 PolarHBondContact N-O 2.82Å; N149-A152 PolarHBondContact OD1-N 3.48Å; N149-A152 PolarHBondContact OD1-O 2.92Å | ||
| 150 | K | 84.1 | Confident | 92.3 | Very high | 159 Ų | 159 | 46.4 Ų | 46.4 | 69% | 0.691 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -57.9 | -28.2 | 179.1 | -87.7 | 169.1 | -175.8 | 120.2 | 0 | 114.7 | E95 | E95-K150 VanDerWaalsContact OE1-CD 3.3Å; E95-K150 WeakPolarHBondContact OE1-CD 3.42Å; E95-K150 WeakPolarHBondContact OE1-CE 3.17Å; E95-K150 WeakPolarHBondContact OE1-CG 3.46Å; E95-K150 IonicContact OE1-NZ 2.71Å; E95-K150 PolarHBondContact OE1-NZ 2.92Å; E95-K150 WeakPolarHBondContact OE2-CG 3.22Å; E95-K150 IonicContact OE2-NZ 3.92Å |
| 151 | A | 81.8 | Confident | 92.6 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 50% | 0.496 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -99.5 | -35.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F61 N149 | F61-A151 HydrophobicContact CB-CB 3.25Å; F61-A151 HydrophobicContact CD1-CB 4.49Å; F61-A151 HydrophobicContact CD2-CB 3.73Å; F61-A151 HydrophobicContact CG-CB 3.6Å; N149-A151 PolarHBondContact O-N 2.88Å; N149-A151 PolarHBondContact OD1-N 2.57Å |
| 152 | A | 86.3 | Confident | 92.6 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | trans | -156.5 | 159.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V63 R148 N149 | V63-A152 HydrophobicContact CG1-CB 4.24Å; V63-A152 HydrophobicContact CG2-CB 3.88Å; R148-A152 WeakPolarHBondContact CA-O 3.37Å; N149-A152 PolarHBondContact N-O 2.82Å; N149-A152 PolarHBondContact OD1-N 3.48Å; N149-A152 PolarHBondContact OD1-O 2.92Å | ||
| 153 | A | 91.2 | Very high | 92.3 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 34% | 0.339 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R148 | R148-A153 HydrophobicContact CB-CB 3.98Å |
| 154 | G | 91.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -179.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | P64 R146 A147 | P64-G154 VanDerWaalsContact O-CA 3.24Å; P64-G154 WeakPolarHBondContact O-CA 3.24Å; R146-G154 WeakPolarHBondContact CD-O 3.35Å; A147-G154 PolarHBondContact O-N 2.93Å |
| 155 | D | 94.3 | Very high | 90.3 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 155.2 | 171.8 | -66 | -39.2 | 0 | 0 | 0 | 111.3 | A66 R146 | A66-D155 HydrophobicContact CB-CB 4.46Å; R146-D155 VanDerWaalsContact CB-O 3.3Å; R146-D155 WeakPolarHBondContact CB-O 3.42Å |
| 156 | F | 95.8 | Very high | 88.9 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 150.2 | 170.2 | -76.8 | -79.8 | 0 | 0 | 0 | 111 | E100 R144 V145 R146 | E100-F156 HydrophobicContact CB-CE1 4.22Å; E100-F156 HydrophobicContact CB-CZ 4.49Å; E100-F156 HydrophobicContact CG-CE1 3.89Å; E100-F156 HydrophobicContact CG-CZ 3.77Å; E100-F156 VanDerWaalsContact OE1-CZ 3.29Å; E100-F156 WeakPolarHBondContact OE1-CZ 3.33Å; R144-F156 HydrophobicContact CB-CB 4.31Å; R144-F156 HydrophobicContact CB-CD1 4.09Å; R144-F156 HydrophobicContact CG-CB 4.29Å; R144-F156 HydrophobicContact CG-CD1 3.58Å; R144-F156 HydrophobicContact CG-CE1 4.08Å; R144-F156 HydrophobicContact CG-CG 4.03Å; V145-F156 CarbonylContact O-C 3.6Å; V145-F156 WeakPolarHBondContact O-CA 2.98Å; R146-F156 HydrophobicContact CB-CD1 3.73Å; R146-F156 HydrophobicContact CB-CE1 3.99Å; R146-F156 HydrophobicContact CB-CG 4.06Å; R146-F156 HydrophobicContact CG-CD1 3.92Å; R146-F156 HydrophobicContact CG-CE1 3.63Å; R146-F156 HydrophobicContact CG-CE2 4.45Å; R146-F156 HydrophobicContact CG-CG 4.45Å; R146-F156 HydrophobicContact CG-CZ 3.91Å |
| 157 | S | 96.1 | Very high | 87.9 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 160.7 | 163.6 | 73.7 | 0 | 0 | 0 | 0 | 110.8 | P67 V145 | P67-S157 WeakPolarHBondContact O-CB 3.31Å; V145-S157 PolarHBondContact N-OG 2.86Å; V145-S157 VanDerWaalsContact N-OG 3.12Å; V145-S157 WeakPolarHBondContact O-CB 3.3Å; V145-S157 PolarHBondContact O-N 2.86Å |
| 158 | E | 94 | Very high | 87 | Confident | 162 Ų | 162 | 58.3 Ų | 58.3 | 76% | 0.757 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 136.6 | 161.9 | -69.1 | -57 | 133.7 | 0 | 0 | 109.6 | ||
| 159 | P | 94.3 | Very high | 86.6 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 134.8 | -178.5 | 27.9 | -33.3 | 0 | 0 | 0 | 110.7 | A109 W118 V142 V143 | A109-P159 HydrophobicContact CB-CG 3.75Å; W118-P159 HydrophobicContact CH2-CB 4.45Å; V142-P159 HydrophobicContact CG1-CB 3.64Å; V143-P159 CarbonylContact O-C 3.55Å; V143-P159 VanDerWaalsContact O-CA 3.32Å; V143-P159 WeakPolarHBondContact O-CA 3.06Å |
| 160 | V | 94.2 | Very high | 86.3 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.9 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | I69 V71 V142 V143 M162 | I69-V160 HydrophobicContact CB-CG2 3.95Å; I69-V160 HydrophobicContact CD1-CB 4.27Å; I69-V160 HydrophobicContact CD1-CG2 4.01Å; I69-V160 HydrophobicContact CG1-CG2 4.49Å; I69-V160 HydrophobicContact CG2-CB 4.46Å; I69-V160 HydrophobicContact CG2-CG2 4.08Å; V71-V160 HydrophobicContact CG1-CG1 4.45Å; V71-V160 HydrophobicContact CG2-CG1 3.84Å; V71-V160 HydrophobicContact CG2-CG2 4.16Å; V142-V160 CarbonylContact C-O 3.58Å; V142-V160 WeakPolarHBondContact CA-O 3.42Å; V143-V160 HydrophobicContact CG2-CB 4.16Å; V143-V160 PolarHBondContact N-O 2.84Å; V143-V160 PolarHBondContact O-N 2.97Å; V160-M162 HydrophobicContact CG1-CG 4.43Å |
| 161 | A | 92.9 | Very high | 86.4 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G107 F140 V142 | G107-A161 WeakPolarHBondContact O-CB 3.45Å; F140-A161 HydrophobicContact CB-CB 4.42Å; F140-A161 HydrophobicContact CD1-CB 4.18Å; F140-A161 HydrophobicContact CG-CB 4.44Å; V142-A161 HydrophobicContact CG2-CB 4.18Å |
| 162 | M | 89.6 | Confident | 87 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124 | 173.9 | -57.3 | -150.3 | -170.5 | 0 | 0 | 109.9 | C74 V76 I81 V83 F140 I141 V143 V160 T164 | C74-M162 HydrophobicContact CB-CE 3.72Å; C74-M162 HydrophobicContact CB-SD 4.09Å; V76-M162 HydrophobicContact CG2-CB 3.96Å; V76-M162 HydrophobicContact CG2-SD 3.98Å; I81-M162 HydrophobicContact CD1-CB 4.46Å; I81-M162 HydrophobicContact CG2-CE 3.96Å; I81-M162 HydrophobicContact CG2-SD 3.25Å; I81-M162 WeakPolarHBondContact CG2-SD 3.12Å; V83-M162 HydrophobicContact CB-CE 4.27Å; V83-M162 HydrophobicContact CG1-CE 3.96Å; V83-M162 HydrophobicContact CG2-CE 3.77Å; F140-M162 CarbonylContact C-O 3.55Å; F140-M162 VanDerWaalsContact CA-O 3.23Å; F140-M162 WeakPolarHBondContact CA-O 3.01Å; I141-M162 PolarHBondContact N-O 3.23Å; I141-M162 WeakPolarHBondContact O-CB 3.42Å; I141-M162 PolarHBondContact O-N 2.81Å; V143-M162 HydrophobicContact CG1-CE 4.44Å; V143-M162 HydrophobicContact CG2-CE 3.53Å; V143-M162 HydrophobicContact CG2-CG 4.44Å; V160-M162 HydrophobicContact CG1-CG 4.43Å; M162-T164 PolarHBondContact O-N 2.82Å |
| 163 | E | 85.9 | Confident | 87.2 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.6 | 178.7 | -171.3 | -173.6 | -175.8 | 0 | 0 | 110.8 | F140 K165 | F140-E163 HydrophobicContact CD1-CB 4.23Å; F140-E163 HydrophobicContact CE1-CB 4.05Å; F140-E163 HydrophobicContact CE1-CG 4.2Å; E163-K165 HydrophobicContact CG-CG 4.2Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å |
| 164 | T | 81.5 | Confident | 87.3 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | trans | -103.4 | 96.7 | 175.3 | 36.7 | 0 | 0 | 0 | 0 | 108.8 | V76 I81 F136 S138 P139 F140 I141 M162 A166 | V76-T164 HydrophobicContact CG1-CG2 4.26Å; I81-T164 HydrophobicContact CD1-CG2 4.41Å; F136-T164 HydrophobicContact CB-CG2 4.17Å; F136-T164 HydrophobicContact CD1-CG2 3.4Å; F136-T164 VanDerWaalsContact CD1-CG2 3.4Å; F136-T164 HydrophobicContact CD2-CG2 3.88Å; F136-T164 HydrophobicContact CE1-CG2 3.63Å; F136-T164 HydrophobicContact CE2-CG2 4.09Å; F136-T164 HydrophobicContact CG-CG2 3.54Å; F136-T164 HydrophobicContact CZ-CG2 3.97Å; S138-T164 PolarHBondContact O-OG1 2.84Å; P139-T164 PolarHBondContact O-N 2.92Å; P139-T164 PolarHBondContact O-OG1 3.12Å; P139-T164 VanDerWaalsContact O-OG1 3.08Å; F140-T164 PolarHBondContact N-OG1 3Å; I141-T164 HydrophobicContact CG1-CG2 3.73Å; M162-T164 PolarHBondContact O-N 2.82Å; T164-A166 PolarHBondContact O-N 2.82Å | ||
| 165 | K | 69.1 | Low | 87.4 | Confident | 160 Ų | 160 | 49.7 Ų | 49.7 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | trans | -72.8 | 26.5 | -178 | -61.7 | -174.3 | 177.5 | -178.1 | 0 | 114.4 | E163 F167 | E163-K165 HydrophobicContact CG-CG 4.2Å; E163-K165 WeakPolarHBondContact OE2-CE 3.26Å; K165-F167 PolarHBondContact O-N 2.85Å | ||
| 166 | A | 69.5 | Low | 87.3 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | trans | -72.4 | 128.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F136 T164 T168 | F136-A166 HydrophobicContact CB-CB 3.3Å; F136-A166 HydrophobicContact CD2-CB 4.1Å; F136-A166 HydrophobicContact CG-CB 4.23Å; F136-A166 WeakPolarHBondContact O-CB 3.47Å; T164-A166 PolarHBondContact O-N 2.82Å; A166-T168 HydrophobicContact CB-CG2 4.35Å; A166-T168 PolarHBondContact O-N 2.8Å | ||
| 167 | F | 75.9 | Confident | 87.1 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | -73.4 | 108 | 167.1 | -175 | -118.2 | 0 | 0 | 0 | 109.2 | K165 F169 Q241 I243 H248 W250 P350 | K165-F167 PolarHBondContact O-N 2.85Å; F167-F169 AromaticContact CD1-CD1 3.6Å; F167-F169 HydrophobicContact CD1-CD1 3.6Å; F167-F169 AromaticContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CE1-CB 4.4Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CG 4.05Å; F167-F169 HydrophobicContact CZ-CB 4.29Å; F167-F169 AromaticContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CG 4.39Å; F167-Q241 HydrophobicContact CE2-CB 3.89Å; F167-Q241 HydrophobicContact CZ-CB 4.06Å; F167-I243 HydrophobicContact CD1-CD1 4.46Å; F167-I243 HydrophobicContact CD2-CG1 4.34Å; F167-I243 HydrophobicContact CE1-CD1 3.82Å; F167-I243 HydrophobicContact CE1-CG1 3.88Å; F167-I243 HydrophobicContact CE2-CD1 4.48Å; F167-I243 HydrophobicContact CE2-CG1 3.65Å; F167-I243 HydrophobicContact CZ-CD1 3.85Å; F167-I243 HydrophobicContact CZ-CG1 3.39Å; F167-H248 HydrophobicContact CB-CB 4Å; F167-H248 VanDerWaalsContact CB-ND1 3.35Å; F167-H248 WeakPolarHBondContact CB-ND1 3.41Å; F167-H248 HydrophobicContact CD1-CB 4.16Å; F167-H248 AromaticContact CD2-ND1 3.4Å; F167-H248 WeakPolarHBondContact CD2-ND1 3.39Å; F167-H248 HydrophobicContact CG-CB 4.02Å; F167-H248 AromaticContact CG-CG 4Å; F167-H248 AromaticContact CG-ND1 3.43Å; F167-H248 WeakPolarHBondContact CG-ND1 3.43Å; F167-W250 HydrophobicContact CD1-CE3 4.01Å; F167-W250 HydrophobicContact CD1-CZ3 4.41Å; F167-W250 HydrophobicContact CE1-CE3 4.26Å; F167-W250 HydrophobicContact CE1-CZ3 4.39Å; F167-P350 HydrophobicContact CE1-CG 3.72Å; F167-P350 HydrophobicContact CZ-CG 4.15Å | ||
| 168 | T | 74.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | trans | -111.5 | 131.4 | 177.1 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | F136 A166 Q241 Y363 | F136-T168 VanDerWaalsContact O-CG2 3.27Å; F136-T168 WeakPolarHBondContact O-CG2 3.46Å; A166-T168 HydrophobicContact CB-CG2 4.35Å; A166-T168 PolarHBondContact O-N 2.8Å; T168-Q241 WeakPolarHBondContact O-CG 3.4Å; T168-Y363 HydrophobicContact CG2-CD1 3.9Å; T168-Y363 HydrophobicContact CG2-CE1 4.06Å | ||
| 169 | F | 84.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | trans | -147.4 | 145 | 177.5 | 65.7 | -87.3 | 0 | 0 | 0 | 109.2 | F167 D240 Q241 W250 P350 F352 Q361 Y363 | F167-F169 AromaticContact CD1-CD1 3.6Å; F167-F169 HydrophobicContact CD1-CD1 3.6Å; F167-F169 AromaticContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CD1-CE1 3.96Å; F167-F169 HydrophobicContact CE1-CB 4.4Å; F167-F169 AromaticContact CE1-CD1 3.22Å; F167-F169 HydrophobicContact CE1-CD1 3.22Å; F167-F169 AromaticContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CE1 3.71Å; F167-F169 HydrophobicContact CE1-CG 4.05Å; F167-F169 HydrophobicContact CZ-CB 4.29Å; F167-F169 AromaticContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CD1 3.95Å; F167-F169 HydrophobicContact CZ-CG 4.39Å; F169-D240 WeakPolarHBondContact CA-OD1 3.08Å; F169-Q241 HydrophobicContact CB-CB 3.85Å; F169-Q241 HydrophobicContact CB-CG 3.89Å; F169-W250 HydrophobicContact CE1-CB 3.85Å; F169-W250 HydrophobicContact CE1-CD2 4.03Å; F169-W250 AromaticContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CZ-CB 4.34Å; F169-W250 AromaticContact CZ-CD1 3.78Å; F169-W250 HydrophobicContact CZ-CD2 4.36Å; F169-W250 AromaticContact CZ-CG 3.92Å; F169-W250 HydrophobicContact CZ-CG 3.92Å; F169-P350 HydrophobicContact CD1-CG 3.9Å; F169-P350 HydrophobicContact CD2-CB 4.14Å; F169-P350 HydrophobicContact CD2-CG 3.93Å; F169-P350 HydrophobicContact CE1-CB 4.27Å; F169-P350 HydrophobicContact CE1-CG 3.73Å; F169-P350 HydrophobicContact CE2-CB 3.63Å; F169-P350 HydrophobicContact CE2-CG 3.8Å; F169-P350 HydrophobicContact CG-CG 3.99Å; F169-P350 HydrophobicContact CZ-CB 3.7Å; F169-P350 HydrophobicContact CZ-CG 3.69Å; F169-F352 AromaticContact CE2-CE2 3.82Å; F169-F352 HydrophobicContact CE2-CE2 3.82Å; F169-F352 AromaticContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CZ-CE2 4.39Å; F169-F352 AromaticContact CZ-CZ 3.87Å; F169-F352 HydrophobicContact CZ-CZ 3.87Å; F169-Q361 PolarHBondContact O-NE2 3.16Å; F169-Y363 PolarHBondContact O-OH 3.43Å | ||
| 170 | G | 85.2 | Confident | 86.2 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | trans | -96.4 | -178.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G239 D240 | G170-G239 CarbonylContact O-C 3.51Å; G170-G239 VanDerWaalsContact O-CA 3.32Å; G170-G239 WeakPolarHBondContact O-CA 3.46Å; G170-D240 WeakPolarHBondContact CA-OD2 3.35Å; G170-D240 VanDerWaalsContact N-CG 3.31Å; G170-D240 PolarHBondContact N-OD1 3.24Å; G170-D240 PolarHBondContact N-OD2 2.91Å; G170-D240 PolarHBondContact O-N 3.32Å | ||
| 171 | F | 86.6 | Confident | 85.7 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 129.7 | 171.3 | -63.1 | -70.7 | 0 | 0 | 0 | 110.9 | T173 I182 V187 V237 F352 | F171-T173 PolarHBondContact O-N 3.07Å; F171-I182 HydrophobicContact CB-CD1 3.85Å; F171-I182 HydrophobicContact CB-CG1 4.27Å; F171-I182 HydrophobicContact CB-CG2 3.87Å; F171-I182 HydrophobicContact CD2-CG2 4.03Å; F171-I182 HydrophobicContact CG-CG2 4.34Å; F171-V187 HydrophobicContact CD1-CG2 3.71Å; F171-V187 HydrophobicContact CD2-CG2 3.67Å; F171-V187 HydrophobicContact CE1-CG2 3.54Å; F171-V187 HydrophobicContact CE2-CG2 3.51Å; F171-V187 HydrophobicContact CG-CG2 3.77Å; F171-V187 HydrophobicContact CZ-CG2 3.46Å; F171-V187 VanDerWaalsContact CZ-CG2 3.46Å; F171-V237 HydrophobicContact CB-CG2 3.96Å; F171-V237 HydrophobicContact CD1-CG1 3.93Å; F171-V237 HydrophobicContact CD1-CG2 4.18Å; F171-V237 HydrophobicContact CE1-CG1 4.4Å; F171-V237 HydrophobicContact CG-CG2 4.47Å; F171-F352 HydrophobicContact CD1-CD2 4.11Å; F171-F352 HydrophobicContact CD1-CE2 4.26Å; F171-F352 AromaticContact CE1-CD2 3.6Å; F171-F352 HydrophobicContact CE1-CD2 3.6Å; F171-F352 AromaticContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CG 4.12Å; F171-F352 HydrophobicContact CE1-CZ 4.26Å |
| 172 | D | 92.8 | Very high | 85.2 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | trans | -76.7 | 96 | 173.9 | -175.6 | -6.1 | 0 | 0 | 0 | 111 | A174 T175 A176 L238 D240 R268 | D172-A174 PolarHBondContact O-N 2.79Å; D172-A174 VanDerWaalsContact O-N 3.11Å; D172-A174 VanDerWaalsContact OD1-CB 3.26Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.14Å; D172-T175 HydrophobicContact CB-CG2 4.14Å; D172-T175 PolarHBondContact O-N 3.2Å; D172-T175 PolarHBondContact O-OG1 3.43Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.39Å; D172-A176 PolarHBondContact O-N 3.26Å; D172-L238 PolarHBondContact N-O 2.84Å; D172-D240 HydrophobicContact CB-CB 4.16Å; D172-R268 IonicContact OD2-CZ 2.64Å; D172-R268 IonicContact OD2-NH1 3.74Å; D172-R268 PolarHBondContact OD2-NH1 3.25Å; D172-R268 IonicContact OD2-NH2 3.9Å; D172-R268 PolarHBondContact OD2-NH2 3.04Å | ||
| 173 | T | 91.1 | Very high | 84.7 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.7 | 179.3 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | F171 T175 I182 | F171-T173 PolarHBondContact O-N 3.07Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T173-I182 HydrophobicContact CG2-CB 4.4Å; T173-I182 HydrophobicContact CG2-CD1 3.84Å; T173-I182 HydrophobicContact CG2-CG2 4.37Å |
| 174 | A | 93.4 | Very high | 84.3 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D172 | D172-A174 PolarHBondContact O-N 2.79Å; D172-A174 VanDerWaalsContact O-N 3.11Å; D172-A174 VanDerWaalsContact OD1-CB 3.26Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.14Å |
| 175 | T | 94.4 | Very high | 84 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -31.3 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | D172 T173 H177 R229 F230 L238 | D172-T175 HydrophobicContact CB-CG2 4.14Å; D172-T175 PolarHBondContact O-N 3.2Å; D172-T175 PolarHBondContact O-OG1 3.43Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.39Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T175-H177 PolarHBondContact O-N 2.92Å; T175-R229 WeakPolarHBondContact O-CA 3.05Å; T175-F230 WeakPolarHBondContact O-CD2 3.41Å; T175-F230 PolarHBondContact O-N 3.44Å; T175-L238 HydrophobicContact CG2-CB 4.32Å; T175-L238 HydrophobicContact CG2-CD1 4.08Å; T175-L238 HydrophobicContact CG2-CG 4.32Å; T175-L238 PolarHBondContact OG1-N 3.32Å; T175-L238 VanDerWaalsContact OG1-N 3.08Å |
| 176 | A | 91.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -55.6 | 129.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D172 I182 R229 T236 V237 | D172-A176 PolarHBondContact O-N 3.26Å; A176-I182 HydrophobicContact CB-CD1 3.55Å; A176-R229 WeakPolarHBondContact O-CD 3.46Å; A176-R229 WeakPolarHBondContact O-CG 3.09Å; A176-R229 PolarHBondContact O-NE 2.91Å; A176-R229 PolarHBondContact O-NH1 2.82Å; A176-T236 WeakPolarHBondContact CA-O 3.45Å; A176-V237 HydrophobicContact CB-CB 3.99Å; A176-V237 HydrophobicContact CB-CG2 3.77Å |
| 177 | H | 92.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | trans | -49.1 | 149.6 | 174.1 | -171.7 | -89.8 | 0 | 0 | 0 | 112.9 | T175 E179 L180 R229 F230 G232 S234 Y235 T236 | T175-H177 PolarHBondContact O-N 2.92Å; H177-E179 PolarHBondContact ND1-N 2.77Å; H177-E179 VanDerWaalsContact ND1-N 3.17Å; H177-E179 PolarHBondContact O-N 3.11Å; H177-E179 VanDerWaalsContact O-N 3.16Å; H177-L180 HydrophobicContact CB-CD1 4.13Å; H177-L180 HydrophobicContact CB-CG 4.06Å; H177-L180 WeakPolarHBondContact O-CB 3.43Å; H177-L180 PolarHBondContact O-N 3.47Å; H177-R229 PolarHBondContact O-NH1 3.22Å; H177-F230 HydrophobicContact CB-CB 4.3Å; H177-F230 PolarHBondContact CD2-O 3.27Å; H177-G232 PolarHBondContact NE2-O 2.93Å; H177-S234 PolarHBondContact CD2-O 3.21Å; H177-S234 VanDerWaalsContact CD2-O 3.27Å; H177-Y235 AromaticContact CE1-CD1 3.83Å; H177-Y235 AromaticContact CE1-CE1 3.83Å; H177-Y235 AromaticContact ND1-CD1 3.63Å; H177-T236 PolarHBondContact N-O 2.88Å | ||
| 178 | A | 91.3 | Very high | 85.1 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q192 | A178-Q192 PolarHBondContact O-NE2 3.01Š|
| 179 | E | 87.3 | Confident | 85.4 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.3 | 174.7 | -61.6 | -176.6 | -178.4 | 0 | 0 | 113.2 | H177 W189 E190 Q192 Y235 | H177-E179 PolarHBondContact ND1-N 2.77Å; H177-E179 VanDerWaalsContact ND1-N 3.17Å; H177-E179 PolarHBondContact O-N 3.11Å; H177-E179 VanDerWaalsContact O-N 3.16Å; E179-W189 CarbonylContact O-C 3.52Å; E179-W189 WeakPolarHBondContact O-CA 3.38Å; E179-W189 PolarHBondContact OE2-NE1 2.82Å; E179-E190 WeakPolarHBondContact CA-O 3.41Å; E179-E190 PolarHBondContact O-N 3.02Å; E179-Q192 HydrophobicContact CG-CG 4.33Å; E179-Y235 WeakPolarHBondContact OE2-CE1 3.41Å |
| 180 | L | 85.8 | Confident | 85 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130 | 171.5 | -63.3 | -179.6 | 0 | 0 | 0 | 109.9 | H177 V187 T188 W189 V237 V354 | H177-L180 HydrophobicContact CB-CD1 4.13Å; H177-L180 HydrophobicContact CB-CG 4.06Å; H177-L180 WeakPolarHBondContact O-CB 3.43Å; H177-L180 PolarHBondContact O-N 3.47Å; L180-V187 HydrophobicContact CB-CG1 4.27Å; L180-V187 HydrophobicContact CD1-CG1 4.18Å; L180-V187 HydrophobicContact CD2-CG1 4.14Å; L180-V187 HydrophobicContact CG-CG1 4.43Å; L180-T188 CarbonylContact C-O 3.53Å; L180-T188 VanDerWaalsContact CA-O 3.3Å; L180-T188 WeakPolarHBondContact CA-O 3.45Å; L180-W189 HydrophobicContact CD2-CB 4.02Å; L180-V237 HydrophobicContact CD1-CB 4.17Å; L180-V237 HydrophobicContact CD1-CG1 4.25Å; L180-V354 HydrophobicContact CD2-CB 4.23Å |
| 181 | K | 84.3 | Confident | 84.3 | Confident | 117 Ų | 117 | 47.4 Ų | 47.4 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140 | 166 | -61.1 | -163.2 | -173.7 | 166.1 | 0 | 109.9 | V187 T188 E190 | K181-V187 WeakPolarHBondContact O-CA 3.27Å; K181-T188 WeakPolarHBondContact CB-OG1 3.41Å; K181-T188 PolarHBondContact N-O 2.64Å; K181-T188 PolarHBondContact O-N 2.82Å; K181-T188 PolarHBondContact O-OG1 3.22Å; K181-E190 VanDerWaalsContact CD-CD 3.44Å; K181-E190 HydrophobicContact CD-CG 4.33Å; K181-E190 WeakPolarHBondContact CD-OE1 3.49Å; K181-E190 WeakPolarHBondContact CD-OE2 3.49Å; K181-E190 VanDerWaalsContact CE-CD 3.47Å; K181-E190 WeakPolarHBondContact CE-OE2 3.42Å; K181-E190 HydrophobicContact CG-CB 4.36Å; K181-E190 HydrophobicContact CG-CG 4.38Å; K181-E190 IonicContact NZ-OE1 3.56Å; K181-E190 IonicContact NZ-OE2 3.6Å; K181-E190 PolarHBondContact NZ-OE2 3.43Å |
| 182 | I | 82.1 | Confident | 83.3 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | -179.9 | -63.7 | 163.1 | 0 | 0 | 0 | 107.1 | F171 T173 A176 T186 V187 V237 | F171-I182 HydrophobicContact CB-CD1 3.85Å; F171-I182 HydrophobicContact CB-CG1 4.27Å; F171-I182 HydrophobicContact CB-CG2 3.87Å; F171-I182 HydrophobicContact CD2-CG2 4.03Å; F171-I182 HydrophobicContact CG-CG2 4.34Å; T173-I182 HydrophobicContact CG2-CB 4.4Å; T173-I182 HydrophobicContact CG2-CD1 3.84Å; T173-I182 HydrophobicContact CG2-CG2 4.37Å; A176-I182 HydrophobicContact CB-CD1 3.55Å; I182-T186 CarbonylContact C-O 3.55Å; I182-T186 VanDerWaalsContact CA-O 3.3Å; I182-T186 WeakPolarHBondContact CA-O 3.4Å; I182-V187 HydrophobicContact CG1-CG2 4.36Å; I182-V237 HydrophobicContact CD1-CG2 3.87Å |
| 183 | Q | 78.8 | Confident | 81.5 | Confident | 162 Ų | 162 | 54.7 Ų | 54.7 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 99.1 | 175.7 | -171.8 | 178.3 | 22.4 | 0 | 0 | 109.3 | D185 T186 | Q183-D185 PolarHBondContact O-N 2.93Å; Q183-T186 PolarHBondContact N-O 2.99Å; Q183-T186 VanDerWaalsContact O-CB 3.26Å; Q183-T186 WeakPolarHBondContact O-CB 3.36Å; Q183-T186 PolarHBondContact O-N 2.92Å |
| 184 | G | 78.2 | Confident | 79.3 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 65% | 0.649 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | -121.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T186 | G184-T186 PolarHBondContact O-N 2.75Š|
| 185 | D | 75.6 | Confident | 77.1 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 16.6 | -179.5 | -69.2 | -31.5 | 0 | 0 | 0 | 113.6 | Q183 Q361 Y363 | Q183-D185 PolarHBondContact O-N 2.93Å; D185-Q361 HydrophobicContact CB-CB 3.96Å; D185-Q361 WeakPolarHBondContact O-CB 3.45Å; D185-Q361 PolarHBondContact O-N 3.22Å; D185-Y363 WeakPolarHBondContact OD1-CE2 3.43Å; D185-Y363 PolarHBondContact OD1-OH 2.83Å; D185-Y363 WeakPolarHBondContact OD2-CE2 3.2Å |
| 186 | T | 76.9 | Confident | 74.4 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.8 | -172.3 | -62 | 0 | 0 | 0 | 0 | 113.3 | I182 Q183 G184 T188 V358 L359 | I182-T186 CarbonylContact C-O 3.55Å; I182-T186 VanDerWaalsContact CA-O 3.3Å; I182-T186 WeakPolarHBondContact CA-O 3.4Å; Q183-T186 PolarHBondContact N-O 2.99Å; Q183-T186 VanDerWaalsContact O-CB 3.26Å; Q183-T186 WeakPolarHBondContact O-CB 3.36Å; Q183-T186 PolarHBondContact O-N 2.92Å; G184-T186 PolarHBondContact O-N 2.75Å; T186-T188 HydrophobicContact CG2-CG2 4.05Å; T186-V358 HydrophobicContact CG2-CG1 3.05Å; T186-L359 WeakPolarHBondContact CA-O 3.35Å |
| 187 | V | 81.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.8 | 172 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | F171 L180 K181 I182 V237 V354 V358 L359 | F171-V187 HydrophobicContact CD1-CG2 3.71Å; F171-V187 HydrophobicContact CD2-CG2 3.67Å; F171-V187 HydrophobicContact CE1-CG2 3.54Å; F171-V187 HydrophobicContact CE2-CG2 3.51Å; F171-V187 HydrophobicContact CG-CG2 3.77Å; F171-V187 HydrophobicContact CZ-CG2 3.46Å; F171-V187 VanDerWaalsContact CZ-CG2 3.46Å; L180-V187 HydrophobicContact CB-CG1 4.27Å; L180-V187 HydrophobicContact CD1-CG1 4.18Å; L180-V187 HydrophobicContact CD2-CG1 4.14Å; L180-V187 HydrophobicContact CG-CG1 4.43Å; K181-V187 WeakPolarHBondContact O-CA 3.27Å; I182-V187 HydrophobicContact CG1-CG2 4.36Å; V187-V237 HydrophobicContact CG1-CG1 4.15Å; V187-V237 HydrophobicContact CG2-CG1 4Å; V187-V354 HydrophobicContact CG1-CG2 4.21Å; V187-V358 WeakPolarHBondContact O-CA 3.4Å; V187-L359 PolarHBondContact N-O 2.8Å; V187-L359 PolarHBondContact O-N 3.12Å |
| 188 | T | 78.9 | Confident | 68.8 | Low | 23 Ų | 23 | 82.9 Ų | 82.9 | 14% | 0.141 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.7 | 177.1 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | L180 K181 T186 I357 V358 | L180-T188 CarbonylContact C-O 3.53Å; L180-T188 VanDerWaalsContact CA-O 3.3Å; L180-T188 WeakPolarHBondContact CA-O 3.45Å; K181-T188 WeakPolarHBondContact CB-OG1 3.41Å; K181-T188 PolarHBondContact N-O 2.64Å; K181-T188 PolarHBondContact O-N 2.82Å; K181-T188 PolarHBondContact O-OG1 3.22Å; T186-T188 HydrophobicContact CG2-CG2 4.05Å; T188-I357 HydrophobicContact CG2-CG2 3.4Å; T188-V358 HydrophobicContact CG2-CB 4.26Å; T188-V358 HydrophobicContact CG2-CG1 3.81Å; T188-V358 HydrophobicContact CG2-CG2 4.15Å |
| 189 | W | 81.2 | Confident | 66.6 | Low | 52 Ų | 52 | 85 Ų | 85 | 20% | 0.197 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.4 | 169.6 | 176.1 | 81 | 0 | 0 | 0 | 110.2 | E179 L180 P191 Y235 V354 I357 | E179-W189 CarbonylContact O-C 3.52Å; E179-W189 WeakPolarHBondContact O-CA 3.38Å; E179-W189 PolarHBondContact OE2-NE1 2.82Å; L180-W189 HydrophobicContact CD2-CB 4.02Å; W189-P191 HydrophobicContact CH2-CB 3.65Å; W189-P191 HydrophobicContact CH2-CG 3.6Å; W189-P191 HydrophobicContact CZ2-CB 3.73Å; W189-P191 HydrophobicContact CZ2-CG 4.14Å; W189-P191 HydrophobicContact CZ3-CB 4.34Å; W189-P191 HydrophobicContact CZ3-CG 3.83Å; W189-Y235 AromaticContact CD1-CD1 3.82Å; W189-Y235 AromaticContact NE1-CD1 3.66Å; W189-Y235 AromaticContact NE1-CE1 3.61Å; W189-V354 HydrophobicContact CB-CG1 4.34Å; W189-I357 HydrophobicContact CB-CG1 4.4Å; W189-I357 WeakPolarHBondContact O-CD1 3.29Å; W189-I357 WeakPolarHBondContact O-CG1 3.24Å |
| 190 | E | 77 | Confident | 64.5 | Low | 72 Ų | 72 | 94 Ų | 94 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | trans | -123.1 | 111.6 | 177.2 | -67.7 | -170.7 | -150.3 | 0 | 0 | 109.8 | E179 K181 Q192 | E179-E190 WeakPolarHBondContact CA-O 3.41Å; E179-E190 PolarHBondContact O-N 3.02Å; K181-E190 VanDerWaalsContact CD-CD 3.44Å; K181-E190 HydrophobicContact CD-CG 4.33Å; K181-E190 WeakPolarHBondContact CD-OE1 3.49Å; K181-E190 WeakPolarHBondContact CD-OE2 3.49Å; K181-E190 VanDerWaalsContact CE-CD 3.47Å; K181-E190 WeakPolarHBondContact CE-OE2 3.42Å; K181-E190 HydrophobicContact CG-CB 4.36Å; K181-E190 HydrophobicContact CG-CG 4.38Å; K181-E190 IonicContact NZ-OE1 3.56Å; K181-E190 IonicContact NZ-OE2 3.6Å; K181-E190 PolarHBondContact NZ-OE2 3.43Å; E190-Q192 PolarHBondContact O-N 3.37Å | ||
| 191 | P | 70.3 | Confident | 62.5 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 51% | 0.506 | 56% | 0.559 | S | S | . | * | trans | -62.2 | 126 | -178.7 | 21 | -26.7 | 0 | 0 | 0 | 108.7 | W189 G193 | W189-P191 HydrophobicContact CH2-CB 3.65Å; W189-P191 HydrophobicContact CH2-CG 3.6Å; W189-P191 HydrophobicContact CZ2-CB 3.73Å; W189-P191 HydrophobicContact CZ2-CG 4.14Å; W189-P191 HydrophobicContact CZ3-CB 4.34Å; W189-P191 HydrophobicContact CZ3-CG 3.83Å; P191-G193 PolarHBondContact O-N 3.11Å | ||
| 192 | Q | 64.6 | Low | 60.4 | Low | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 58% | 0.579 | S | S | * | * | trans | -68.1 | 107.1 | 168.6 | -69.7 | -167.2 | 7.2 | 0 | 0 | 106.5 | A178 E179 E190 V194 | A178-Q192 PolarHBondContact O-NE2 3.01Å; E179-Q192 HydrophobicContact CG-CG 4.33Å; E190-Q192 PolarHBondContact O-N 3.37Å; Q192-V194 PolarHBondContact O-N 3.39Å | ||
| 193 | G | 55.5 | Low | 58.1 | Low | 65 Ų | 65 | 109.8 Ų | 109.8 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | -45.5 | 130 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | P191 K195 | P191-G193 PolarHBondContact O-N 3.11Å; G193-K195 PolarHBondContact O-N 3.1Å | ||
| 194 | V | 45.4 | Very low | 56.3 | Low | 138 Ų | 138 | 111.4 Ų | 111.4 | 84% | 0.836 | 61% | 0.609 | S | S | * | * | trans | -50.4 | 111.1 | 178.1 | -168.7 | 0 | 0 | 0 | 0 | 106.7 | Q192 G196 | Q192-V194 PolarHBondContact O-N 3.39Å; V194-G196 PolarHBondContact O-N 2.84Å | ||
| 195 | K | 46.5 | Very low | 54 | Low | 203 Ų | 203 | 118.1 Ų | 118.1 | 88% | 0.883 | 62% | 0.623 | S | S | * | * | trans | -62.9 | 96.7 | 164.9 | -83.6 | -171.8 | 177.3 | -178.1 | 0 | 105 | G193 H197 | G193-K195 PolarHBondContact O-N 3.1Å; K195-H197 PolarHBondContact O-N 2.9Å | ||
| 196 | G | 37.1 | Very low | 51.9 | Low | 60 Ų | 60 | 122.6 Ų | 122.6 | 62% | 0.619 | 65% | 0.647 | S | S | * | * | trans | -51.1 | 118.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | V194 D198 | V194-G196 PolarHBondContact O-N 2.84Å; G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 2.96Å | ||
| 197 | H | 36.3 | Very low | 49.9 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.866 | 68% | 0.677 | S | S | * | * | trans | -66.8 | 104.9 | 164.1 | -148.6 | -61.3 | 0 | 0 | 0 | 104.7 | K195 A199 | K195-H197 PolarHBondContact O-N 2.9Å; H197-A199 PolarHBondContact O-N 2.86Å | ||
| 198 | D | 31.3 | Very low | 47.5 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -57.2 | 101 | 179.9 | -104.8 | -34.7 | 0 | 0 | 0 | 109.1 | G196 R200 | G196-D198 VanDerWaalsContact C-N 3.34Å; G196-D198 PolarHBondContact O-N 2.96Å; D198-R200 PolarHBondContact O-N 2.84Å | ||
| 199 | A | 45 | Very low | 45.3 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -89.8 | 80.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | H197 | H197-A199 PolarHBondContact O-N 2.86Š| ||
| 200 | R | 42 | Very low | 43.2 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 174.9 | 88.2 | 154.1 | -97.2 | 156.8 | -170.2 | -162.6 | 5.2 | 111.5 | D198 | D198-R200 PolarHBondContact O-N 2.84Š| ||
| 201 | L | 44.3 | Very low | 41.4 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | trans | -137.3 | 119 | 134.8 | -76.3 | -179.5 | 0 | 0 | 0 | 108.2 | ||||
| 202 | R | 40.9 | Very low | 40 | Very low | 246 Ų | 246 | 154.2 Ų | 154.2 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -98.8 | 127.9 | -176.9 | -170 | -175.6 | -165.4 | -116.7 | 8.8 | 107.8 | ||||
| 203 | G | 33.3 | Very low | 38.4 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | -163.3 | 103.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 204 | K | 41.3 | Very low | 37.5 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -64.7 | 130.3 | 169.3 | -84.2 | 178.9 | 169.8 | -179.9 | 0 | 109 | ||||
| 205 | E | 29.1 | Very low | 37 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 95% | 0.953 | 83% | 0.829 | S | S | * | * | trans | -144.3 | 145.8 | 138.2 | -74.7 | -161.6 | 147.3 | 0 | 0 | 110.3 | ||||
| 206 | N | 32 | Very low | 36.4 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -128.7 | 118.5 | -164.6 | -169.3 | 27.6 | 0 | 0 | 0 | 108.1 | ||||
| 207 | K | 35.8 | Very low | 36.6 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | 153.1 | 131.8 | 138.6 | -89.2 | 179.3 | 176.2 | 177.6 | 0 | 114.1 | ||||
| 208 | N | 29.2 | Very low | 36.4 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | 39.6 | 115.2 | 147.8 | -77.2 | 19.6 | 0 | 0 | 0 | 121.1 | ||||
| 209 | S | 32.9 | Very low | 37.1 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | -165.5 | 123.6 | 121.5 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 210 | S | 38.4 | Very low | 36.6 | Very low | 100 Ų | 100 | 155.9 Ų | 155.9 | 70% | 0.699 | 83% | 0.832 | S | S | * | * | trans | -48 | 133.7 | 161.2 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 211 | R | 38.2 | Very low | 36.5 | Very low | 239 Ų | 239 | 149.7 Ų | 149.7 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -179.1 | 122 | 135.7 | -96.3 | 157.8 | -166.2 | -158.8 | 5 | 110.7 | ||||
| 212 | S | 40.1 | Very low | 36.3 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -58.2 | 123.7 | 166.1 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 213 | A | 32.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -164.1 | 106.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P215 | A213-P215 WeakPolarHBondContact O-CD 3.45Š| ||
| 214 | T | 36.7 | Very low | 37.1 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 119.9 | 165.2 | 37.4 | 0 | 0 | 0 | 0 | 109.2 | S216 | T214-S216 PolarHBondContact O-N 2.64Š| ||
| 215 | P | 33.7 | Very low | 37.4 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 111.7 | 166.2 | 29.1 | -21 | 0 | 0 | 0 | 108 | A213 | A213-P215 WeakPolarHBondContact O-CD 3.45Š| ||
| 216 | S | 34.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -51.4 | 136.1 | 165.1 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | T214 N218 | T214-S216 PolarHBondContact O-N 2.64Å; S216-N218 PolarHBondContact O-N 3.07Å | ||
| 217 | P | 41.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 109.7 | 174.2 | -12.1 | 25.8 | 0 | 0 | 0 | 108.4 | K219 | P217-K219 PolarHBondContact O-N 2.74Š| ||
| 218 | N | 32.5 | Very low | 42.3 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -52.7 | 122.6 | 165.9 | -106.8 | -19.1 | 0 | 0 | 0 | 108.1 | S216 T220 | S216-N218 PolarHBondContact O-N 3.07Å; N218-T220 PolarHBondContact O-N 3.38Å | ||
| 219 | K | 44.9 | Very low | 45.3 | Very low | 211 Ų | 211 | 125.5 Ų | 125.5 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | trans | -65.5 | 73.9 | 163.7 | -75.1 | -180 | 177.4 | 174.3 | 0 | 108.4 | P217 A221 | P217-K219 PolarHBondContact O-N 2.74Å; K219-A221 PolarHBondContact O-N 2.98Å | ||
| 220 | T | 34.3 | Very low | 48.2 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -67.6 | 119.8 | 155.9 | 37.6 | 0 | 0 | 0 | 0 | 106.3 | N218 G222 | N218-T220 PolarHBondContact O-N 3.38Å; T220-G222 PolarHBondContact O-N 3.33Å | ||
| 221 | A | 39.6 | Very low | 50.7 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | trans | -55.7 | 83.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K219 S223 | K219-A221 PolarHBondContact O-N 2.98Å; A221-S223 PolarHBondContact O-N 3.37Å | ||
| 222 | G | 40.5 | Very low | 53.2 | Low | 67 Ų | 67 | 107.5 Ų | 107.5 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | trans | -61.5 | 121.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T220 R224 | T220-G222 PolarHBondContact O-N 3.33Å; G222-R224 PolarHBondContact O-N 3.32Å | ||
| 223 | S | 45.9 | Very low | 55.4 | Low | 96 Ų | 96 | 108.2 Ų | 108.2 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | trans | -6.5 | 112.5 | 172 | -176.7 | 0 | 0 | 0 | 0 | 114.5 | A221 G225 G226 | A221-S223 PolarHBondContact O-N 3.37Å; S223-G225 PolarHBondContact O-N 2.97Å; S223-G225 PolarHBondContact OG-N 3.25Å; S223-G226 PolarHBondContact O-N 2.78Å | ||
| 224 | R | 45.6 | Very low | 58.1 | Low | 241 Ų | 241 | 103.9 Ų | 103.9 | 91% | 0.909 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -52.1 | -17 | 170.3 | -71.8 | -178.7 | 178.5 | 164.4 | -1 | 112.8 | G222 G226 | G222-R224 PolarHBondContact O-N 3.32Å; R224-G226 VanDerWaalsContact C-N 3.31Å; R224-G226 PolarHBondContact O-N 2.81Å |
| 225 | G | 47.3 | Very low | 60.6 | Low | 41 Ų | 41 | 100.2 Ų | 100.2 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -73 | -10.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S223 | S223-G225 PolarHBondContact O-N 2.97Å; S223-G225 PolarHBondContact OG-N 3.25Å |
| 226 | G | 57.5 | Low | 63.4 | Low | 40 Ų | 40 | 94.4 Ų | 94.4 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -84.2 | -13 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S223 R224 R273 | S223-G226 PolarHBondContact O-N 2.78Å; R224-G226 VanDerWaalsContact C-N 3.31Å; R224-G226 PolarHBondContact O-N 2.81Å; G226-R273 PolarHBondContact O-NH1 3.09Å |
| 227 | R | 64.5 | Low | 66.2 | Low | 205 Ų | 205 | 89.4 Ų | 89.4 | 77% | 0.774 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -83.3 | -37.6 | -174.8 | -162.9 | 177.4 | -174.4 | -171.2 | -0.5 | 112.6 | ||
| 228 | E | 77.5 | Confident | 68.8 | Low | 125 Ų | 125 | 83.5 Ų | 83.5 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -81.5 | -14.7 | -178.7 | -59.5 | -58.2 | 143.3 | 0 | 0 | 113.3 | ||
| 229 | R | 92.4 | Very high | 71.6 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 31% | 0.306 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -79.2 | 135.1 | -175.2 | -162.3 | 178 | -78.4 | -108.4 | -2.8 | 112.3 | T175 A176 H177 R273 | T175-R229 WeakPolarHBondContact O-CA 3.05Å; A176-R229 WeakPolarHBondContact O-CD 3.46Å; A176-R229 WeakPolarHBondContact O-CG 3.09Å; A176-R229 PolarHBondContact O-NE 2.91Å; A176-R229 PolarHBondContact O-NH1 2.82Å; H177-R229 PolarHBondContact O-NH1 3.22Å; R229-R273 WeakPolarHBondContact O-CB 3.21Å |
| 230 | F | 93.9 | Very high | 73.8 | Confident | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.035 | 40% | 0.397 | C | S | . | . | trans | -59.3 | 146.7 | 167.2 | -73 | -80.6 | 0 | 0 | 0 | 111.5 | T175 H177 S234 T236 L238 L271 G272 R273 | T175-F230 WeakPolarHBondContact O-CD2 3.41Å; T175-F230 PolarHBondContact O-N 3.44Å; H177-F230 HydrophobicContact CB-CB 4.3Å; H177-F230 PolarHBondContact CD2-O 3.27Å; F230-S234 VanDerWaalsContact CB-O 3.3Å; F230-S234 WeakPolarHBondContact CB-O 3.37Å; F230-T236 HydrophobicContact CD1-CG2 4.39Å; F230-T236 HydrophobicContact CD2-CG2 3.91Å; F230-T236 WeakPolarHBondContact CD2-O 3.48Å; F230-T236 HydrophobicContact CE1-CG2 4.19Å; F230-T236 HydrophobicContact CE2-CG2 3.73Å; F230-T236 HydrophobicContact CG-CG2 4.29Å; F230-T236 HydrophobicContact CZ-CG2 3.89Å; F230-L238 HydrophobicContact CE2-CD1 4.1Å; F230-L238 HydrophobicContact CE2-CD2 4.18Å; F230-L238 HydrophobicContact CE2-CG 3.87Å; F230-L238 HydrophobicContact CZ-CD1 4.28Å; F230-L238 HydrophobicContact CZ-CD2 4.28Å; F230-L238 HydrophobicContact CZ-CG 4.31Å; F230-L271 HydrophobicContact CE1-CD2 3.91Å; F230-L271 HydrophobicContact CE1-CG 4.02Å; F230-L271 HydrophobicContact CZ-CD2 3.62Å; F230-L271 HydrophobicContact CZ-CG 4.05Å; F230-G272 WeakPolarHBondContact CE1-O 3.4Å; F230-R273 CarbonylContact C-O 3.58Å; F230-R273 WeakPolarHBondContact CA-O 3.3Å; F230-R273 WeakPolarHBondContact CD1-O 3.26Å | ||
| 231 | A | 91.8 | Very high | 76.5 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | trans | -145.4 | 167.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S234 R273 F274 | A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.31Å; A231-R273 VanDerWaalsContact CB-NH2 3.25Å; A231-R273 PolarHBondContact N-O 2.84Å; A231-F274 HydrophobicContact CB-CD1 4.03Å; A231-F274 HydrophobicContact CB-CE1 3.6Å; A231-F274 HydrophobicContact CB-CZ 4.35Å | ||
| 232 | G | 89.3 | Confident | 79.1 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -135.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | H177 S234 | H177-G232 PolarHBondContact NE2-O 2.93Å; G232-S234 PolarHBondContact O-N 3.39Å |
| 233 | E | 86 | Confident | 81.6 | Confident | 139 Ų | 139 | 64.6 Ų | 64.6 | 65% | 0.65 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 11.1 | 178.3 | -58.2 | -176.6 | 165.3 | 0 | 0 | 113.1 | Y235 Q276 | E233-Y235 PolarHBondContact O-N 2.9Å; E233-Q276 VanDerWaalsContact CB-NE2 3.28Å; E233-Q276 PolarHBondContact O-NE2 3.15Å |
| 234 | S | 90.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | trans | -90.4 | 75.7 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | H177 F230 A231 G232 T236 F274 D275 | H177-S234 PolarHBondContact CD2-O 3.21Å; H177-S234 VanDerWaalsContact CD2-O 3.27Å; F230-S234 VanDerWaalsContact CB-O 3.3Å; F230-S234 WeakPolarHBondContact CB-O 3.37Å; A231-S234 WeakPolarHBondContact O-CB 3.25Å; A231-S234 PolarHBondContact O-N 3.31Å; G232-S234 PolarHBondContact O-N 3.39Å; S234-T236 PolarHBondContact O-N 3.05Å; S234-F274 PolarHBondContact OG-O 2.73Å; S234-F274 VanDerWaalsContact OG-O 3.1Å; S234-D275 WeakPolarHBondContact CB-O 3.27Å; S234-D275 PolarHBondContact OG-N 2.87Å; S234-D275 PolarHBondContact OG-O 3.48Å | ||
| 235 | Y | 90.1 | Very high | 85.7 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | trans | -72.8 | 59 | 174.9 | -53.6 | -68.9 | 0 | 0 | 0 | 111.8 | H177 E179 W189 E233 T353 V354 | H177-Y235 AromaticContact CE1-CD1 3.83Å; H177-Y235 AromaticContact CE1-CE1 3.83Å; H177-Y235 AromaticContact ND1-CD1 3.63Å; E179-Y235 WeakPolarHBondContact OE2-CE1 3.41Å; W189-Y235 AromaticContact CD1-CD1 3.82Å; W189-Y235 AromaticContact NE1-CD1 3.66Å; W189-Y235 AromaticContact NE1-CE1 3.61Å; E233-Y235 PolarHBondContact O-N 2.9Å; Y235-T353 CarbonylContact O-C 3.52Å; Y235-T353 WeakPolarHBondContact O-CA 3.35Å; Y235-T353 WeakPolarHBondContact O-CG2 3.39Å; Y235-V354 VanDerWaalsContact CB-O 3.25Å; Y235-V354 WeakPolarHBondContact CB-O 3.38Å; Y235-V354 PolarHBondContact O-N 2.85Å | ||
| 236 | T | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.9 | -167.4 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | A176 H177 F230 S234 L238 L277 F352 T353 | A176-T236 WeakPolarHBondContact CA-O 3.45Å; H177-T236 PolarHBondContact N-O 2.88Å; F230-T236 HydrophobicContact CD1-CG2 4.39Å; F230-T236 HydrophobicContact CD2-CG2 3.91Å; F230-T236 WeakPolarHBondContact CD2-O 3.48Å; F230-T236 HydrophobicContact CE1-CG2 4.19Å; F230-T236 HydrophobicContact CE2-CG2 3.73Å; F230-T236 HydrophobicContact CG-CG2 4.29Å; F230-T236 HydrophobicContact CZ-CG2 3.89Å; S234-T236 PolarHBondContact O-N 3.05Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; T236-L277 HydrophobicContact CG2-CD1 4.46Å; T236-L277 HydrophobicContact CG2-CD2 4.3Å; T236-L277 HydrophobicContact CG2-CG 4.35Å; T236-F352 CarbonylContact C-O 3.56Å; T236-F352 WeakPolarHBondContact CA-O 3.46Å; T236-T353 PolarHBondContact OG1-OG1 3.42Å |
| 237 | V | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.9 | 166.4 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | F171 A176 L180 I182 V187 F352 | F171-V237 HydrophobicContact CB-CG2 3.96Å; F171-V237 HydrophobicContact CD1-CG1 3.93Å; F171-V237 HydrophobicContact CD1-CG2 4.18Å; F171-V237 HydrophobicContact CE1-CG1 4.4Å; F171-V237 HydrophobicContact CG-CG2 4.47Å; A176-V237 HydrophobicContact CB-CB 3.99Å; A176-V237 HydrophobicContact CB-CG2 3.77Å; L180-V237 HydrophobicContact CD1-CB 4.17Å; L180-V237 HydrophobicContact CD1-CG1 4.25Å; I182-V237 HydrophobicContact CD1-CG2 3.87Å; V187-V237 HydrophobicContact CG1-CG1 4.15Å; V187-V237 HydrophobicContact CG2-CG1 4Å; V237-F352 HydrophobicContact CG1-CB 4.12Å; V237-F352 PolarHBondContact N-O 3.44Å; V237-F352 PolarHBondContact O-N 3.18Å |
| 238 | L | 95.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 160 | 176.1 | -54.2 | 178.8 | 0 | 0 | 0 | 111.4 | D172 T175 F230 T236 R268 L271 V349 P350 A351 | D172-L238 PolarHBondContact N-O 2.84Å; T175-L238 HydrophobicContact CG2-CB 4.32Å; T175-L238 HydrophobicContact CG2-CD1 4.08Å; T175-L238 HydrophobicContact CG2-CG 4.32Å; T175-L238 PolarHBondContact OG1-N 3.32Å; T175-L238 VanDerWaalsContact OG1-N 3.08Å; F230-L238 HydrophobicContact CE2-CD1 4.1Å; F230-L238 HydrophobicContact CE2-CD2 4.18Å; F230-L238 HydrophobicContact CE2-CG 3.87Å; F230-L238 HydrophobicContact CZ-CD1 4.28Å; F230-L238 HydrophobicContact CZ-CD2 4.28Å; F230-L238 HydrophobicContact CZ-CG 4.31Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; L238-R268 HydrophobicContact CD1-CG 4.26Å; L238-L271 HydrophobicContact CD2-CD2 4.21Å; L238-V349 HydrophobicContact CB-CG2 4.06Å; L238-V349 HydrophobicContact CD1-CG2 4.02Å; L238-V349 HydrophobicContact CD2-CG2 4.12Å; L238-V349 HydrophobicContact CG-CG2 4.26Å; L238-P350 CarbonylContact C-O 3.58Å; L238-P350 WeakPolarHBondContact CA-O 3.26Å; L238-A351 HydrophobicContact CD2-CB 3.63Å |
| 239 | G | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 154.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G170 R268 P350 | G170-G239 CarbonylContact O-C 3.51Å; G170-G239 VanDerWaalsContact O-CA 3.32Å; G170-G239 WeakPolarHBondContact O-CA 3.46Å; G239-R268 PolarHBondContact O-NH1 3Å; G239-P350 PolarHBondContact N-O 3.41Å |
| 240 | D | 91 | Very high | 90.1 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -89.1 | -8.9 | 178.6 | 66.3 | 6.2 | 0 | 0 | 0 | 114.3 | F169 G170 D172 | F169-D240 WeakPolarHBondContact CA-OD1 3.08Å; G170-D240 WeakPolarHBondContact CA-OD2 3.35Å; G170-D240 VanDerWaalsContact N-CG 3.31Å; G170-D240 PolarHBondContact N-OD1 3.24Å; G170-D240 PolarHBondContact N-OD2 2.91Å; G170-D240 PolarHBondContact O-N 3.32Å; D172-D240 HydrophobicContact CB-CB 4.16Å |
| 241 | Q | 90.3 | Very high | 89.8 | Confident | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -109.8 | 140.1 | 173.6 | -60.1 | -50.7 | -52.9 | 0 | 0 | 112.2 | F167 T168 F169 | F167-Q241 HydrophobicContact CE2-CB 3.89Å; F167-Q241 HydrophobicContact CZ-CB 4.06Å; T168-Q241 WeakPolarHBondContact O-CG 3.4Å; F169-Q241 HydrophobicContact CB-CB 3.85Å; F169-Q241 HydrophobicContact CB-CG 3.89Å |
| 242 | E | 94.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 38.6 Ų | 38.6 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | trans | -93.9 | 137.2 | 175.4 | -65.2 | -173 | 164.5 | 0 | 0 | 111.7 | N244 R268 P347 L348 V349 | E242-N244 PolarHBondContact O-ND2 2.95Å; E242-R268 WeakPolarHBondContact OE1-CD 3.49Å; E242-P347 HydrophobicContact CB-CB 4.1Å; E242-P347 HydrophobicContact CG-CB 4.37Å; E242-L348 CarbonylContact C-O 3.59Å; E242-L348 WeakPolarHBondContact CA-O 3.25Å; E242-V349 HydrophobicContact CB-CG1 4.48Å; E242-V349 HydrophobicContact CG-CG1 3.79Å | ||
| 243 | I | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -92 | 110.4 | 169.9 | -61 | 168 | 0 | 0 | 0 | 107.5 | F167 H248 W250 C319 H321 P347 L348 | F167-I243 HydrophobicContact CD1-CD1 4.46Å; F167-I243 HydrophobicContact CD2-CG1 4.34Å; F167-I243 HydrophobicContact CE1-CD1 3.82Å; F167-I243 HydrophobicContact CE1-CG1 3.88Å; F167-I243 HydrophobicContact CE2-CD1 4.48Å; F167-I243 HydrophobicContact CE2-CG1 3.65Å; F167-I243 HydrophobicContact CZ-CD1 3.85Å; F167-I243 HydrophobicContact CZ-CG1 3.39Å; I243-H248 HydrophobicContact CD1-CB 4.26Å; I243-H248 WeakPolarHBondContact CG2-CD2 3.4Å; I243-W250 HydrophobicContact CD1-CH2 3.98Å; I243-W250 HydrophobicContact CD1-CZ3 3.79Å; I243-C319 HydrophobicContact CD1-CB 4.42Å; I243-H321 HydrophobicContact CG2-CB 3.89Å; I243-H321 PolarHBondContact O-CD2 3.46Å; I243-P347 WeakPolarHBondContact O-CA 3.49Å; I243-L348 HydrophobicContact CB-CB 4.23Å; I243-L348 PolarHBondContact N-O 2.94Å; I243-L348 PolarHBondContact O-N 3.44Å |
| 244 | N | 91.2 | Very high | 89 | Confident | 105 Ų | 105 | 33 Ų | 33 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | trans | -107.6 | -3.9 | -175.9 | -72.4 | -70 | 0 | 0 | 0 | 114.1 | E242 P347 | E242-N244 PolarHBondContact O-ND2 2.95Å; N244-P347 VanDerWaalsContact OD1-CB 3.26Å; N244-P347 WeakPolarHBondContact OD1-CB 3.5Å; N244-P347 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 245 | G | 87.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 26% | 0.258 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 164.4 | 166.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H248 D322 | G245-H248 PolarHBondContact O-NE2 2.73Å; G245-D322 WeakPolarHBondContact CA-OD1 3.43Å |
| 246 | G | 86.8 | Confident | 87.2 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 75.5 | -169.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H321 D322 | G246-H321 PolarHBondContact O-N 2.78Å; G246-D322 VanDerWaalsContact CA-OD2 3.31Å; G246-D322 WeakPolarHBondContact CA-OD2 3.19Å; G246-D322 VanDerWaalsContact N-CG 3.31Å; G246-D322 PolarHBondContact N-OD1 3.34Å; G246-D322 PolarHBondContact N-OD2 2.92Å |
| 247 | C | 86.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 42.1 Ų | 42.1 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.2 | -176.5 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | Y318 C319 | C247-Y318 HydrophobicContact CB-CE2 3.89Å; C247-Y318 WeakPolarHBondContact CB-OH 3.42Å; C247-Y318 PolarHBondContact SG-OH 3.06Å; C247-C319 CarbonylContact C-O 3.24Å; C247-C319 WeakPolarHBondContact CA-O 3.36Å |
| 248 | H | 84.8 | Confident | 85.3 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146 | -176.9 | -58.9 | -87.1 | 0 | 0 | 0 | 110.5 | F167 I243 G245 W250 Y318 C319 | F167-H248 HydrophobicContact CB-CB 4Å; F167-H248 VanDerWaalsContact CB-ND1 3.35Å; F167-H248 WeakPolarHBondContact CB-ND1 3.41Å; F167-H248 HydrophobicContact CD1-CB 4.16Å; F167-H248 AromaticContact CD2-ND1 3.4Å; F167-H248 WeakPolarHBondContact CD2-ND1 3.39Å; F167-H248 HydrophobicContact CG-CB 4.02Å; F167-H248 AromaticContact CG-CG 4Å; F167-H248 AromaticContact CG-ND1 3.43Å; F167-H248 WeakPolarHBondContact CG-ND1 3.43Å; I243-H248 HydrophobicContact CD1-CB 4.26Å; I243-H248 WeakPolarHBondContact CG2-CD2 3.4Å; G245-H248 PolarHBondContact O-NE2 2.73Å; H248-W250 HydrophobicContact CB-CZ3 4.28Å; H248-Y318 CarbonylContact O-C 3.49Å; H248-Y318 WeakPolarHBondContact O-CA 3.22Å; H248-C319 PolarHBondContact N-O 2.91Å; H248-C319 PolarHBondContact O-N 3.19Å |
| 249 | Y | 86.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.8 | 177.9 | 176.3 | -101.4 | 0 | 0 | 0 | 111.5 | E251 V317 V331 R365 I368 | Y249-E251 HydrophobicContact CE1-CG 3.58Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.45Å; Y249-E251 VanDerWaalsContact CZ-CG 3.5Å; Y249-E251 VanDerWaalsContact OH-CD 3.24Å; Y249-E251 WeakPolarHBondContact OH-CG 3.42Å; Y249-E251 PolarHBondContact OH-OE1 2.75Å; Y249-V317 VanDerWaalsContact CA-O 3.29Å; Y249-V317 WeakPolarHBondContact CA-O 3.31Å; Y249-V317 VanDerWaalsContact CD2-O 3.24Å; Y249-V317 WeakPolarHBondContact CD2-O 3.39Å; Y249-V331 WeakPolarHBondContact OH-CG2 3.19Å; Y249-R365 WeakPolarHBondContact CD1-O 3.42Å; Y249-R365 HydrophobicContact CE1-CB 4.13Å; Y249-R365 WeakPolarHBondContact CE1-O 2.89Å; Y249-I368 HydrophobicContact CD2-CD1 4.21Å; Y249-I368 HydrophobicContact CE2-CD1 3.6Å; Y249-I368 HydrophobicContact CE2-CG1 4.11Å |
| 250 | W | 85.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 155.9 | 171.8 | 63 | 97 | 0 | 0 | 0 | 111.8 | F167 F169 I243 H248 V265 V317 C319 P350 | F167-W250 HydrophobicContact CD1-CE3 4.01Å; F167-W250 HydrophobicContact CD1-CZ3 4.41Å; F167-W250 HydrophobicContact CE1-CE3 4.26Å; F167-W250 HydrophobicContact CE1-CZ3 4.39Å; F169-W250 HydrophobicContact CE1-CB 3.85Å; F169-W250 HydrophobicContact CE1-CD2 4.03Å; F169-W250 AromaticContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CE1-CG 3.71Å; F169-W250 HydrophobicContact CZ-CB 4.34Å; F169-W250 AromaticContact CZ-CD1 3.78Å; F169-W250 HydrophobicContact CZ-CD2 4.36Å; F169-W250 AromaticContact CZ-CG 3.92Å; F169-W250 HydrophobicContact CZ-CG 3.92Å; I243-W250 HydrophobicContact CD1-CH2 3.98Å; I243-W250 HydrophobicContact CD1-CZ3 3.79Å; H248-W250 HydrophobicContact CB-CZ3 4.28Å; W250-V265 HydrophobicContact CH2-CG1 3.57Å; W250-V265 HydrophobicContact CZ2-CG1 3.83Å; W250-V317 HydrophobicContact CD2-CB 3.98Å; W250-V317 HydrophobicContact CD2-CG1 4.43Å; W250-V317 HydrophobicContact CG-CB 4.44Å; W250-V317 HydrophobicContact CH2-CB 4.27Å; W250-V317 HydrophobicContact CH2-CG1 3.65Å; W250-V317 HydrophobicContact CZ2-CB 3.71Å; W250-V317 HydrophobicContact CZ2-CG1 3.32Å; W250-V317 HydrophobicContact CZ2-CG2 4.37Å; W250-V317 HydrophobicContact CZ3-CG1 4.32Å; W250-V317 PolarHBondContact N-O 3.29Å; W250-V317 PolarHBondContact O-N 2.89Å; W250-C319 HydrophobicContact CH2-CB 4.12Å; W250-C319 HydrophobicContact CZ3-CB 4Å; W250-P350 HydrophobicContact CH2-CG 4.44Å; W250-P350 HydrophobicContact CZ2-CB 4.14Å; W250-P350 HydrophobicContact CZ2-CG 4.17Å |
| 251 | E | 88.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.2 | 176.6 | -68.3 | -178.1 | -166.7 | 0 | 0 | 111 | Y249 R314 I315 V331 Y362 | Y249-E251 HydrophobicContact CE1-CG 3.58Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.45Å; Y249-E251 VanDerWaalsContact CZ-CG 3.5Å; Y249-E251 VanDerWaalsContact OH-CD 3.24Å; Y249-E251 WeakPolarHBondContact OH-CG 3.42Å; Y249-E251 PolarHBondContact OH-OE1 2.75Å; E251-R314 WeakPolarHBondContact OE2-CD 3.49Å; E251-R314 IonicContact OE2-CZ 2.79Å; E251-R314 IonicContact OE2-NH1 3.16Å; E251-R314 PolarHBondContact OE2-NH1 2.96Å; E251-I315 CarbonylContact C-O 3.56Å; E251-I315 VanDerWaalsContact CA-O 3.29Å; E251-I315 WeakPolarHBondContact CA-O 3.26Å; E251-V331 HydrophobicContact CG-CG2 4.24Å; E251-Y362 PolarHBondContact O-N 3.2Å |
| 252 | L | 83.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.8 | 169.2 | 60.6 | 143.7 | 0 | 0 | 0 | 110.3 | V263 R314 I315 V317 L359 | L252-V263 HydrophobicContact CD1-CB 3.86Å; L252-V263 HydrophobicContact CD1-CG1 4Å; L252-V263 HydrophobicContact CD1-CG2 3.82Å; L252-V263 HydrophobicContact CD2-CB 4.26Å; L252-V263 HydrophobicContact CD2-CG1 4.19Å; L252-V263 HydrophobicContact CD2-CG2 3.49Å; L252-V263 VanDerWaalsContact CD2-CG2 3.49Å; L252-V263 HydrophobicContact CG-CG2 4.29Å; L252-R314 WeakPolarHBondContact O-CA 3.35Å; L252-I315 HydrophobicContact CD1-CD1 4.16Å; L252-I315 HydrophobicContact CD2-CB 3.9Å; L252-I315 HydrophobicContact CD2-CG2 4.13Å; L252-I315 WeakPolarHBondContact CD2-O 3.39Å; L252-I315 HydrophobicContact CG-CB 3.96Å; L252-I315 PolarHBondContact N-O 3.26Å; L252-I315 PolarHBondContact O-N 3.16Å; L252-V317 HydrophobicContact CD2-CG2 3.99Å; L252-L359 HydrophobicContact CD1-CD1 4.49Å; L252-L359 HydrophobicContact CD1-CD2 4Å |
| 253 | R | 85.5 | Confident | 84.5 | Confident | 66 Ų | 66 | 35.2 Ų | 35.2 | 25% | 0.249 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.2 | 173.4 | 172.2 | 165.3 | -82.4 | 164.8 | -14.9 | 109.5 | L255 Q313 Q360 Y362 | R253-L255 HydrophobicContact CG-CD2 4.24Å; R253-L255 PolarHBondContact O-N 2.9Å; R253-Q313 WeakPolarHBondContact CG-O 3.38Å; R253-Q313 PolarHBondContact NE-O 2.91Å; R253-Q360 PolarHBondContact N-O 2.78Å; R253-Q360 PolarHBondContact O-N 2.7Å; R253-Y362 HydrophobicContact CB-CD2 4.08Å; R253-Y362 HydrophobicContact CB-CE2 3.85Å |
| 254 | P | 81.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 130.7 | 161.1 | -16.1 | 31.4 | 0 | 0 | 0 | 109.3 | W258 L261 Q313 L359 | P254-W258 HydrophobicContact CB-CB 4.2Å; P254-W258 HydrophobicContact CB-CD2 3.82Å; P254-W258 HydrophobicContact CB-CG 3.55Å; P254-W258 HydrophobicContact CG-CD2 4.49Å; P254-L261 HydrophobicContact CB-CD2 3.93Å; P254-L261 HydrophobicContact CG-CD2 3.54Å; P254-Q313 WeakPolarHBondContact CD-O 3.4Å; P254-L359 HydrophobicContact CB-CD2 4.46Å |
| 255 | L | 75.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 30.2 Ų | 30.2 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | trans | -86.9 | 178.5 | 173.6 | -47.5 | -169.9 | 0 | 0 | 0 | 111.2 | R253 W258 V358 Q360 | R253-L255 HydrophobicContact CG-CD2 4.24Å; R253-L255 PolarHBondContact O-N 2.9Å; L255-W258 VanDerWaalsContact O-CD1 3.29Å; L255-W258 PolarHBondContact O-N 3.03Å; L255-V358 HydrophobicContact CB-CB 3.64Å; L255-V358 HydrophobicContact CB-CG1 4.38Å; L255-V358 HydrophobicContact CB-CG2 4.04Å; L255-V358 HydrophobicContact CD1-CB 3.4Å; L255-V358 HydrophobicContact CD1-CG1 3.17Å; L255-V358 HydrophobicContact CD1-CG2 3.84Å; L255-V358 HydrophobicContact CG-CB 3.54Å; L255-V358 HydrophobicContact CG-CG1 3.74Å; L255-V358 HydrophobicContact CG-CG2 4.28Å; L255-V358 PolarHBondContact N-O 3.34Å; L255-Q360 HydrophobicContact CD1-CB 4.25Å; L255-Q360 HydrophobicContact CD2-CB 3.59Å; L255-Q360 HydrophobicContact CG-CB 4.2Å | ||
| 256 | A | 66.9 | Low | 85.5 | Confident | 80 Ų | 80 | 29 Ų | 29 | 66% | 0.661 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 142 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W258 | A256-W258 VanDerWaalsContact C-N 3.26Å; A256-W258 PolarHBondContact O-N 2.97Å |
| 257 | D | 69.6 | Low | 86 | Confident | 125 Ų | 125 | 28.7 Ų | 28.7 | 67% | 0.668 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 10.2 | 175.7 | -54.3 | -40.2 | 0 | 0 | 0 | 117.7 | K259 | D257-K259 WeakPolarHBondContact O-CD 3.32Å; D257-K259 WeakPolarHBondContact O-CE 3.22Å; D257-K259 PolarHBondContact O-NZ 3.3Å |
| 258 | W | 76.8 | Confident | 86.2 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | trans | -53.1 | 145.4 | 176.1 | 76.5 | -88.1 | 0 | 0 | 0 | 112.4 | P254 L255 A256 L261 A288 Q290 P311 | P254-W258 HydrophobicContact CB-CB 4.2Å; P254-W258 HydrophobicContact CB-CD2 3.82Å; P254-W258 HydrophobicContact CB-CG 3.55Å; P254-W258 HydrophobicContact CG-CD2 4.49Å; L255-W258 VanDerWaalsContact O-CD1 3.29Å; L255-W258 PolarHBondContact O-N 3.03Å; A256-W258 VanDerWaalsContact C-N 3.26Å; A256-W258 PolarHBondContact O-N 2.97Å; W258-L261 HydrophobicContact CD2-CD2 4.21Å; W258-L261 HydrophobicContact CE3-CD2 3.71Å; W258-L261 HydrophobicContact CE3-CG 4.31Å; W258-L261 HydrophobicContact CZ3-CD2 3.87Å; W258-L261 HydrophobicContact CZ3-CG 4.17Å; W258-A288 HydrophobicContact CH2-CB 3.67Å; W258-A288 HydrophobicContact CZ3-CB 3.92Å; W258-A288 WeakPolarHBondContact CZ3-O 3.36Å; W258-Q290 HydrophobicContact CD2-CG 4.04Å; W258-Q290 HydrophobicContact CE3-CG 4.29Å; W258-Q290 HydrophobicContact CH2-CB 4.29Å; W258-Q290 HydrophobicContact CH2-CG 4.13Å; W258-Q290 HydrophobicContact CZ2-CB 4.25Å; W258-Q290 HydrophobicContact CZ2-CG 3.91Å; W258-Q290 HydrophobicContact CZ3-CG 4.34Å; W258-Q290 VanDerWaalsContact NE1-NE2 3.12Å; W258-Q290 VanDerWaalsContact O-CD 3.31Å; W258-Q290 WeakPolarHBondContact O-CG 3.12Å; W258-Q290 PolarHBondContact O-NE2 2.94Å; W258-P311 HydrophobicContact CH2-CB 3.62Å; W258-P311 HydrophobicContact CH2-CG 4.27Å; W258-P311 HydrophobicContact CZ2-CB 3.64Å | ||
| 259 | K | 79.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 30.8 Ų | 30.8 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | trans | -114.3 | -46.5 | -175.5 | -63.3 | -50 | -178.3 | -157.5 | 0 | 113.9 | D257 S289 Q290 W291 T356 | D257-K259 WeakPolarHBondContact O-CD 3.32Å; D257-K259 WeakPolarHBondContact O-CE 3.22Å; D257-K259 PolarHBondContact O-NZ 3.3Å; K259-S289 CarbonylContact O-C 3.57Å; K259-S289 VanDerWaalsContact O-CA 3.23Å; K259-S289 WeakPolarHBondContact O-CA 3.47Å; K259-S289 PolarHBondContact O-OG 2.99Å; K259-Q290 PolarHBondContact O-N 2.79Å; K259-W291 HydrophobicContact CB-CB 4.07Å; K259-W291 HydrophobicContact CB-CG 4.38Å; K259-W291 HydrophobicContact CD-CB 4.17Å; K259-W291 HydrophobicContact CD-CG 4.19Å; K259-W291 HydrophobicContact CG-CB 4.49Å; K259-W291 HydrophobicContact CG-CG 4.43Å; K259-T356 HydrophobicContact CG-CG2 4.06Å | ||
| 260 | S | 85.6 | Confident | 86.7 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 148.3 | 170.3 | 93.4 | 0 | 0 | 0 | 0 | 111 | A288 S355 | S260-A288 CarbonylContact C-O 3.59Å; S260-A288 WeakPolarHBondContact CA-O 3.36Å; S260-A288 WeakPolarHBondContact CB-O 3.32Å; S260-S355 PolarHBondContact O-N 2.76Å; S260-S355 PolarHBondContact O-OG 3.2Å; S260-S355 PolarHBondContact OG-OG 2.82Å |
| 261 | L | 90.4 | Very high | 87 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.7 | 176 | 68.5 | 93.8 | 0 | 0 | 0 | 110.2 | P254 W258 V263 Y287 A288 I315 T353 L359 | P254-L261 HydrophobicContact CB-CD2 3.93Å; P254-L261 HydrophobicContact CG-CD2 3.54Å; W258-L261 HydrophobicContact CD2-CD2 4.21Å; W258-L261 HydrophobicContact CE3-CD2 3.71Å; W258-L261 HydrophobicContact CE3-CG 4.31Å; W258-L261 HydrophobicContact CZ3-CD2 3.87Å; W258-L261 HydrophobicContact CZ3-CG 4.17Å; L261-V263 HydrophobicContact CD1-CB 4.3Å; L261-V263 HydrophobicContact CD1-CG1 4.12Å; L261-Y287 WeakPolarHBondContact O-CA 3.44Å; L261-Y287 WeakPolarHBondContact O-CD2 3.45Å; L261-A288 HydrophobicContact CD1-CB 4.45Å; L261-A288 HydrophobicContact CG-CB 4.28Å; L261-A288 PolarHBondContact N-O 2.78Å; L261-A288 PolarHBondContact O-N 2.92Å; L261-I315 HydrophobicContact CD1-CD1 4.09Å; L261-T353 CarbonylContact C-O 3.57Å; L261-T353 WeakPolarHBondContact CA-O 3.46Å; L261-L359 HydrophobicContact CD2-CD2 4.09Å |
| 262 | S | 94.1 | Very high | 87.2 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.9 | 160.2 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | L286 F352 T353 | S262-L286 CarbonylContact C-O 3.5Å; S262-L286 VanDerWaalsContact CA-O 3.26Å; S262-L286 WeakPolarHBondContact CA-O 3.43Å; S262-F352 CarbonylContact O-C 3.44Å; S262-F352 WeakPolarHBondContact O-CA 3.47Å; S262-T353 PolarHBondContact N-O 2.81Å; S262-T353 PolarHBondContact O-N 3.19Å |
| 263 | V | 95.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.2 | 175.9 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | L252 L261 C285 L286 I315 V317 F328 A351 F352 | L252-V263 HydrophobicContact CD1-CB 3.86Å; L252-V263 HydrophobicContact CD1-CG1 4Å; L252-V263 HydrophobicContact CD1-CG2 3.82Å; L252-V263 HydrophobicContact CD2-CB 4.26Å; L252-V263 HydrophobicContact CD2-CG1 4.19Å; L252-V263 HydrophobicContact CD2-CG2 3.49Å; L252-V263 VanDerWaalsContact CD2-CG2 3.49Å; L252-V263 HydrophobicContact CG-CG2 4.29Å; L261-V263 HydrophobicContact CD1-CB 4.3Å; L261-V263 HydrophobicContact CD1-CG1 4.12Å; V263-C285 CarbonylContact O-C 3.52Å; V263-C285 WeakPolarHBondContact O-CA 3.29Å; V263-C285 VanDerWaalsContact O-CB 3.29Å; V263-C285 WeakPolarHBondContact O-CB 3.33Å; V263-L286 HydrophobicContact CG1-CB 4.31Å; V263-L286 PolarHBondContact N-O 2.84Å; V263-L286 PolarHBondContact O-N 2.97Å; V263-I315 HydrophobicContact CG1-CD1 4Å; V263-I315 HydrophobicContact CG1-CG2 4.1Å; V263-V317 HydrophobicContact CG2-CG2 4.18Å; V263-F328 HydrophobicContact CG1-CE1 4.44Å; V263-F328 VanDerWaalsContact O-CE1 3.24Å; V263-F328 WeakPolarHBondContact O-CE1 3.5Å; V263-A351 WeakPolarHBondContact CA-O 3.1Å; V263-F352 HydrophobicContact CB-CD1 4.29Å; V263-F352 HydrophobicContact CG2-CD1 3.61Å; V263-F352 HydrophobicContact CG2-CE1 3.51Å |
| 264 | G | 96.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -136.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | W284 A351 | G264-W284 CarbonylContact C-O 3.53Å; G264-W284 VanDerWaalsContact CA-O 3.3Å; G264-W284 WeakPolarHBondContact CA-O 3.46Å; G264-A351 PolarHBondContact N-O 3.17Å; G264-A351 PolarHBondContact O-N 3.19Å |
| 265 | V | 98.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155 | -177.2 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | W250 S283 W284 L326 L348 V349 | W250-V265 HydrophobicContact CH2-CG1 3.57Å; W250-V265 HydrophobicContact CZ2-CG1 3.83Å; V265-S283 WeakPolarHBondContact O-CA 3.32Å; V265-W284 HydrophobicContact CG2-CB 4.37Å; V265-W284 HydrophobicContact CG2-CE3 4.2Å; V265-W284 PolarHBondContact N-O 2.97Å; V265-W284 PolarHBondContact O-N 2.89Å; V265-L326 HydrophobicContact CG1-CD1 4.03Å; V265-L326 HydrophobicContact CG2-CD1 4.05Å; V265-L326 HydrophobicContact CG2-CD2 3.59Å; V265-L326 HydrophobicContact CG2-CG 4.43Å; V265-L348 HydrophobicContact CB-CB 4.35Å; V265-L348 HydrophobicContact CB-CD1 4.41Å; V265-L348 HydrophobicContact CB-CD2 4.12Å; V265-L348 HydrophobicContact CG2-CD1 4.05Å; V265-L348 HydrophobicContact CG2-CD2 3.9Å; V265-L348 HydrophobicContact CG2-CG 4.49Å; V265-V349 CarbonylContact C-O 3.4Å; V265-V349 WeakPolarHBondContact CA-O 3.43Å |
| 266 | A | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R268 L271 T282 L348 V349 A351 | A266-R268 PolarHBondContact O-N 2.84Å; A266-L271 HydrophobicContact CB-CB 4.35Å; A266-L271 HydrophobicContact CB-CD2 3.68Å; A266-L271 HydrophobicContact CB-CG 4.49Å; A266-T282 CarbonylContact C-O 3.57Å; A266-T282 VanDerWaalsContact CA-O 3.32Å; A266-T282 WeakPolarHBondContact CA-O 3.4Å; A266-L348 CarbonylContact O-C 3.55Å; A266-L348 WeakPolarHBondContact O-CA 3.3Å; A266-V349 PolarHBondContact N-O 3Å; A266-V349 WeakPolarHBondContact O-CG2 3.42Å; A266-V349 PolarHBondContact O-N 3.34Å; A266-A351 HydrophobicContact CB-CB 4.04Å |
| 267 | Y | 97.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 113.1 | 164.1 | -63.1 | -32.5 | 0 | 0 | 0 | 109.5 | G269 S270 L271 T282 W284 F344 L345 Q346 L348 | Y267-G269 PolarHBondContact O-N 2.91Å; Y267-S270 PolarHBondContact O-N 2.79Å; Y267-S270 VanDerWaalsContact O-N 3.08Å; Y267-L271 PolarHBondContact O-N 3.09Å; Y267-T282 HydrophobicContact CD2-CG2 4.26Å; Y267-T282 PolarHBondContact N-O 3.42Å; Y267-W284 HydrophobicContact CD1-CZ3 4.5Å; Y267-W284 HydrophobicContact CD2-CH2 4.49Å; Y267-W284 HydrophobicContact CD2-CZ3 4.49Å; Y267-W284 HydrophobicContact CE1-CH2 4.24Å; Y267-W284 HydrophobicContact CE1-CZ3 4.08Å; Y267-W284 AromaticContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CZ3 4.09Å; Y267-W284 AromaticContact CZ-CH2 3.56Å; Y267-W284 AromaticContact CZ-CZ3 3.85Å; Y267-W284 WeakPolarHBondContact OH-CH2 3.43Å; Y267-F344 HydrophobicContact CE1-CB 4.48Å; Y267-F344 VanDerWaalsContact OH-CA 3.3Å; Y267-F344 WeakPolarHBondContact OH-CA 3.47Å; Y267-L345 PolarHBondContact OH-N 2.69Å; Y267-Q346 HydrophobicContact CD1-CB 3.58Å; Y267-Q346 HydrophobicContact CD2-CB 4.36Å; Y267-Q346 HydrophobicContact CE1-CB 3.86Å; Y267-Q346 WeakPolarHBondContact CE1-O 3.25Å; Y267-Q346 HydrophobicContact CG-CB 3.87Å; Y267-Q346 HydrophobicContact CG-CG 4.47Å; Y267-L348 HydrophobicContact CD1-CD2 3.57Å; Y267-L348 HydrophobicContact CD1-CG 4.4Å; Y267-L348 HydrophobicContact CE1-CD2 3.47Å; Y267-L348 VanDerWaalsContact CE1-CD2 3.47Å; Y267-L348 HydrophobicContact CE1-CG 4.18Å |
| 268 | R | 90.5 | Very high | 92.2 | Very high | 79 Ų | 79 | 34 Ų | 34 | 30% | 0.298 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -52.6 | -50.9 | -173.3 | -174.3 | 178.1 | 174.5 | 82.8 | 10.8 | 113 | D172 L238 G239 E242 A266 S270 V349 | D172-R268 IonicContact OD2-CZ 2.64Å; D172-R268 IonicContact OD2-NH1 3.74Å; D172-R268 PolarHBondContact OD2-NH1 3.25Å; D172-R268 IonicContact OD2-NH2 3.9Å; D172-R268 PolarHBondContact OD2-NH2 3.04Å; L238-R268 HydrophobicContact CD1-CG 4.26Å; G239-R268 PolarHBondContact O-NH1 3Å; E242-R268 WeakPolarHBondContact OE1-CD 3.49Å; A266-R268 PolarHBondContact O-N 2.84Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.35Å; R268-V349 HydrophobicContact CB-CG1 4.03Å; R268-V349 HydrophobicContact CB-CG2 3.95Å; R268-V349 HydrophobicContact CG-CG1 4.42Å; R268-V349 HydrophobicContact CG-CG2 4.48Å |
| 269 | G | 87.1 | Confident | 93.1 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 79% | 0.794 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -78.7 | -9.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y267 | Y267-G269 PolarHBondContact O-N 2.91Š|
| 270 | S | 93.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -114.9 | -4.4 | -173.6 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | Y267 R268 T282 Q346 | Y267-S270 PolarHBondContact O-N 2.79Å; Y267-S270 VanDerWaalsContact O-N 3.08Å; R268-S270 VanDerWaalsContact C-N 3.32Å; R268-S270 PolarHBondContact O-N 3.35Å; S270-T282 PolarHBondContact O-OG1 2.81Å; S270-T282 VanDerWaalsContact O-OG1 3.09Å; S270-Q346 PolarHBondContact OG-NE2 3.24Å; S270-Q346 VanDerWaalsContact OG-NE2 3.11Å; S270-Q346 PolarHBondContact OG-OE1 3.44Å |
| 271 | L | 92.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.4 | 112.6 | 174.1 | -173.5 | 65.5 | 0 | 0 | 0 | 109.1 | F230 L238 A266 Y267 D275 L277 | F230-L271 HydrophobicContact CE1-CD2 3.91Å; F230-L271 HydrophobicContact CE1-CG 4.02Å; F230-L271 HydrophobicContact CZ-CD2 3.62Å; F230-L271 HydrophobicContact CZ-CG 4.05Å; L238-L271 HydrophobicContact CD2-CD2 4.21Å; A266-L271 HydrophobicContact CB-CB 4.35Å; A266-L271 HydrophobicContact CB-CD2 3.68Å; A266-L271 HydrophobicContact CB-CG 4.49Å; Y267-L271 PolarHBondContact O-N 3.09Å; L271-D275 HydrophobicContact CD1-CB 3.7Å; L271-D275 HydrophobicContact CG-CB 4.42Å; L271-L277 HydrophobicContact CD2-CD2 3.6Å |
| 272 | G | 92.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | trans | -66.9 | 145.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F230 F274 D275 | F230-G272 WeakPolarHBondContact CE1-O 3.4Å; G272-F274 PolarHBondContact O-N 3.08Å; G272-D275 WeakPolarHBondContact CA-OD2 3.41Å; G272-D275 PolarHBondContact N-OD2 3.32Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.45Å; G272-D275 PolarHBondContact O-N 2.61Å | ||
| 273 | R | 93.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 39.9 Ų | 39.9 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.1 | 179.1 | 61.9 | 174.1 | -93.7 | 160.5 | -4.5 | 115.6 | G226 R229 F230 A231 | G226-R273 PolarHBondContact O-NH1 3.09Å; R229-R273 WeakPolarHBondContact O-CB 3.21Å; F230-R273 CarbonylContact C-O 3.58Å; F230-R273 WeakPolarHBondContact CA-O 3.3Å; F230-R273 WeakPolarHBondContact CD1-O 3.26Å; A231-R273 VanDerWaalsContact CB-NH2 3.25Å; A231-R273 PolarHBondContact N-O 2.84Å |
| 274 | F | 93.5 | Very high | 94.9 | Very high | 131 Ų | 131 | 40.2 Ų | 40.2 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 2.2 | 176.5 | -57.2 | -74.9 | 0 | 0 | 0 | 112.3 | A231 S234 G272 | A231-F274 HydrophobicContact CB-CD1 4.03Å; A231-F274 HydrophobicContact CB-CE1 3.6Å; A231-F274 HydrophobicContact CB-CZ 4.35Å; S234-F274 PolarHBondContact OG-O 2.73Å; S234-F274 VanDerWaalsContact OG-O 3.1Å; G272-F274 PolarHBondContact O-N 3.08Å |
| 275 | D | 93.9 | Very high | 95 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 136.6 | 177.5 | -67 | -16.2 | 0 | 0 | 0 | 109.1 | S234 L271 G272 | S234-D275 WeakPolarHBondContact CB-O 3.27Å; S234-D275 PolarHBondContact OG-N 2.87Å; S234-D275 PolarHBondContact OG-O 3.48Å; L271-D275 HydrophobicContact CD1-CB 3.7Å; L271-D275 HydrophobicContact CG-CB 4.42Å; G272-D275 WeakPolarHBondContact CA-OD2 3.41Å; G272-D275 PolarHBondContact N-OD2 3.32Å; G272-D275 VanDerWaalsContact O-CB 3.31Å; G272-D275 WeakPolarHBondContact O-CB 3.45Å; G272-D275 PolarHBondContact O-N 2.61Å |
| 276 | Q | 94.5 | Very high | 95 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -92 | 145.8 | 166.9 | -66.7 | 172.4 | -22.8 | 0 | 0 | 108.8 | E233 G278 K279 | E233-Q276 VanDerWaalsContact CB-NE2 3.28Å; E233-Q276 PolarHBondContact O-NE2 3.15Å; Q276-G278 PolarHBondContact O-N 2.81Å; Q276-K279 HydrophobicContact CB-CD 3.97Å; Q276-K279 HydrophobicContact CB-CG 4.15Å; Q276-K279 WeakPolarHBondContact O-CB 3.24Å; Q276-K279 PolarHBondContact O-N 2.93Å |
| 277 | L | 95.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 134.2 | -179.3 | -62.4 | -178.9 | 0 | 0 | 0 | 111.3 | T236 L271 K279 C285 A351 T353 | T236-L277 HydrophobicContact CG2-CD1 4.46Å; T236-L277 HydrophobicContact CG2-CD2 4.3Å; T236-L277 HydrophobicContact CG2-CG 4.35Å; L271-L277 HydrophobicContact CD2-CD2 3.6Å; L277-K279 VanDerWaalsContact C-N 3.28Å; L277-K279 PolarHBondContact O-N 3.38Å; L277-C285 VanDerWaalsContact C-SG 3.58Å; L277-C285 HydrophobicContact CB-CB 4.08Å; L277-A351 HydrophobicContact CD1-CB 3.83Å; L277-A351 HydrophobicContact CD2-CB 3.76Å; L277-A351 HydrophobicContact CG-CB 4.48Å; L277-T353 WeakPolarHBondContact CD1-OG1 3.29Å; L277-T353 WeakPolarHBondContact CG-OG1 3.43Å |
| 278 | G | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -6.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q276 S283 H300 G301 N302 | Q276-G278 PolarHBondContact O-N 2.81Å; G278-S283 PolarHBondContact N-OG 2.87Å; G278-H300 CarbonylContact O-C 3.59Å; G278-H300 VanDerWaalsContact O-C 3.24Å; G278-H300 WeakPolarHBondContact O-CA 3.49Å; G278-G301 PolarHBondContact O-N 3.02Å; G278-G301 VanDerWaalsContact O-N 3.16Å; G278-N302 PolarHBondContact O-N 2.82Å |
| 279 | K | 95.2 | Very high | 94.6 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -26.6 | 174.5 | -72.8 | -165 | 170.7 | 171.2 | 0 | 113.5 | Q276 L277 N302 | Q276-K279 HydrophobicContact CB-CD 3.97Å; Q276-K279 HydrophobicContact CB-CG 4.15Å; Q276-K279 WeakPolarHBondContact O-CB 3.24Å; Q276-K279 PolarHBondContact O-N 2.93Å; L277-K279 VanDerWaalsContact C-N 3.28Å; L277-K279 PolarHBondContact O-N 3.38Å; K279-N302 WeakPolarHBondContact O-CB 3.43Å; K279-N302 PolarHBondContact O-N 3.05Å; K279-N302 VanDerWaalsContact O-N 3.15Å |
| 280 | S | 94.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -103.4 | 167.2 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | T282 S283 G301 | S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 2.78Å; S280-T282 PolarHBondContact OG-OG1 3.15Å; S280-S283 PolarHBondContact OG-OG 2.89Å; S280-G301 WeakPolarHBondContact O-CA 3.15Å; S280-G301 PolarHBondContact O-N 3.34Å |
| 281 | S | 95.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 58% | 0.58 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 2.8 | 168.4 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | H300 | S281-H300 PolarHBondContact O-CE1 3.11Š|
| 282 | T | 96.7 | Very high | 93 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.1 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | A266 Y267 S270 S280 | A266-T282 CarbonylContact C-O 3.57Å; A266-T282 VanDerWaalsContact CA-O 3.32Å; A266-T282 WeakPolarHBondContact CA-O 3.4Å; Y267-T282 HydrophobicContact CD2-CG2 4.26Å; Y267-T282 PolarHBondContact N-O 3.42Å; S270-T282 PolarHBondContact O-OG1 2.81Å; S270-T282 VanDerWaalsContact O-OG1 3.09Å; S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 2.78Å; S280-T282 PolarHBondContact OG-OG1 3.15Å |
| 283 | S | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.4 | 176.5 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | V265 G278 S280 H300 | V265-S283 WeakPolarHBondContact O-CA 3.32Å; G278-S283 PolarHBondContact N-OG 2.87Å; S280-S283 PolarHBondContact OG-OG 2.89Å; S283-H300 PolarHBondContact O-ND1 2.99Å |
| 284 | W | 98.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.1 | 175.5 | -62.7 | -100 | 0 | 0 | 0 | 107.8 | G264 V265 Y267 H300 L326 F340 S342 F344 L348 | G264-W284 CarbonylContact C-O 3.53Å; G264-W284 VanDerWaalsContact CA-O 3.3Å; G264-W284 WeakPolarHBondContact CA-O 3.46Å; V265-W284 HydrophobicContact CG2-CB 4.37Å; V265-W284 HydrophobicContact CG2-CE3 4.2Å; V265-W284 PolarHBondContact N-O 2.97Å; V265-W284 PolarHBondContact O-N 2.89Å; Y267-W284 HydrophobicContact CD1-CZ3 4.5Å; Y267-W284 HydrophobicContact CD2-CH2 4.49Å; Y267-W284 HydrophobicContact CD2-CZ3 4.49Å; Y267-W284 HydrophobicContact CE1-CH2 4.24Å; Y267-W284 HydrophobicContact CE1-CZ3 4.08Å; Y267-W284 AromaticContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CH2 3.72Å; Y267-W284 HydrophobicContact CE2-CZ3 4.09Å; Y267-W284 AromaticContact CZ-CH2 3.56Å; Y267-W284 AromaticContact CZ-CZ3 3.85Å; Y267-W284 WeakPolarHBondContact OH-CH2 3.43Å; W284-H300 AromaticContact CD1-CE1 3.9Å; W284-H300 AromaticContact CD1-CG 3.45Å; W284-H300 VanDerWaalsContact CD1-CG 3.45Å; W284-H300 AromaticContact CD1-ND1 3.34Å; W284-H300 VanDerWaalsContact CD1-ND1 3.34Å; W284-H300 AromaticContact CD2-ND1 3.75Å; W284-H300 AromaticContact CE2-CE1 3.26Å; W284-H300 AromaticContact CE2-ND1 3.37Å; W284-H300 HydrophobicContact CG-CB 4.39Å; W284-H300 AromaticContact CG-ND1 3.73Å; W284-H300 AromaticContact CZ2-CE1 3.42Å; W284-H300 VanDerWaalsContact CZ2-CE1 3.42Å; W284-H300 WeakPolarHBondContact CZ2-CE1 3.41Å; W284-H300 AromaticContact CZ2-ND1 3.97Å; W284-H300 AromaticContact NE1-CD2 3.71Å; W284-H300 AromaticContact NE1-CE1 3.18Å; W284-H300 PolarHBondContact NE1-CE1 3.38Å; W284-H300 AromaticContact NE1-CG 3.43Å; W284-H300 AromaticContact NE1-ND1 3.12Å; W284-H300 PolarHBondContact NE1-ND1 3.41Å; W284-H300 VanDerWaalsContact NE1-ND1 3.12Å; W284-H300 AromaticContact NE1-NE2 3.57Å; W284-L326 HydrophobicContact CB-CD2 3.55Å; W284-L326 HydrophobicContact CG-CD2 4.37Å; W284-F340 HydrophobicContact CB-CD2 4.06Å; W284-F340 HydrophobicContact CB-CE2 4.13Å; W284-F340 HydrophobicContact CB-CG 4.47Å; W284-F340 AromaticContact CD1-CD1 3.74Å; W284-F340 AromaticContact CD1-CG 3.67Å; W284-F340 HydrophobicContact CG-CD2 4.49Å; W284-F340 HydrophobicContact CG-CG 4.42Å; W284-S342 WeakPolarHBondContact CZ2-OG 3.48Å; W284-F344 HydrophobicContact CD2-CE1 4.17Å; W284-F344 HydrophobicContact CE3-CE1 4.18Å; W284-F344 HydrophobicContact CH2-CD1 4.12Å; W284-F344 HydrophobicContact CH2-CE1 4.27Å; W284-F344 HydrophobicContact CZ2-CD1 4.38Å; W284-F344 HydrophobicContact CZ2-CE1 4.21Å; W284-F344 HydrophobicContact CZ3-CD1 4.23Å; W284-F344 HydrophobicContact CZ3-CE1 4.24Å; W284-L348 HydrophobicContact CE3-CD2 4.39Å; W284-L348 HydrophobicContact CZ3-CD2 4.06Å |
| 285 | C | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 156.2 | -179.6 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | V263 L277 K299 | V263-C285 CarbonylContact O-C 3.52Å; V263-C285 WeakPolarHBondContact O-CA 3.29Å; V263-C285 VanDerWaalsContact O-CB 3.29Å; V263-C285 WeakPolarHBondContact O-CB 3.33Å; L277-C285 VanDerWaalsContact C-SG 3.58Å; L277-C285 HydrophobicContact CB-CB 4.08Å; C285-K299 PolarHBondContact N-O 2.87Å; C285-K299 PolarHBondContact O-N 2.98Å |
| 286 | L | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.3 | 159.4 | -174.7 | 74.9 | 0 | 0 | 0 | 108 | S262 V263 L296 L307 I315 F328 L337 | S262-L286 CarbonylContact C-O 3.5Å; S262-L286 VanDerWaalsContact CA-O 3.26Å; S262-L286 WeakPolarHBondContact CA-O 3.43Å; V263-L286 HydrophobicContact CG1-CB 4.31Å; V263-L286 PolarHBondContact N-O 2.84Å; V263-L286 PolarHBondContact O-N 2.97Å; L286-L296 HydrophobicContact CD1-CD1 4Å; L286-L296 HydrophobicContact CD1-CD2 4.46Å; L286-L296 HydrophobicContact CD1-CG 4.05Å; L286-L296 HydrophobicContact CD2-CD1 4.1Å; L286-L296 HydrophobicContact CG-CD1 4.02Å; L286-L307 HydrophobicContact CD1-CD1 3.68Å; L286-I315 HydrophobicContact CD2-CD1 4.3Å; L286-I315 HydrophobicContact CD2-CG1 4.48Å; L286-I315 HydrophobicContact CD2-CG2 4.12Å; L286-F328 HydrophobicContact CB-CB 4.49Å; L286-F328 HydrophobicContact CB-CD1 3.54Å; L286-F328 HydrophobicContact CB-CD2 4.31Å; L286-F328 HydrophobicContact CB-CE1 3.72Å; L286-F328 HydrophobicContact CB-CE2 4.46Å; L286-F328 HydrophobicContact CB-CG 3.85Å; L286-F328 HydrophobicContact CB-CZ 4.18Å; L286-F328 HydrophobicContact CD2-CB 4.18Å; L286-F328 HydrophobicContact CD2-CD1 4.19Å; L286-F328 HydrophobicContact CD2-CG 4.36Å; L286-F328 HydrophobicContact CG-CD1 4.44Å; L286-L337 HydrophobicContact CD2-CD1 3.82Å |
| 287 | Y | 95.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.5 | 170.6 | 168 | -101 | 0 | 0 | 0 | 109.7 | L261 S289 A295 L296 A297 K299 | L261-Y287 WeakPolarHBondContact O-CA 3.44Å; L261-Y287 WeakPolarHBondContact O-CD2 3.45Å; Y287-S289 WeakPolarHBondContact OH-CB 3.29Å; Y287-A295 HydrophobicContact CE1-CB 4.26Å; Y287-L296 CarbonylContact O-C 3.6Å; Y287-L296 WeakPolarHBondContact O-CA 3.48Å; Y287-A297 HydrophobicContact CD1-CB 4.34Å; Y287-A297 PolarHBondContact N-O 2.76Å; Y287-A297 PolarHBondContact O-N 3.43Å; Y287-K299 HydrophobicContact CG-CD 4.4Å |
| 288 | A | 92.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W258 S260 L261 A295 L296 P311 | W258-A288 HydrophobicContact CH2-CB 3.67Å; W258-A288 HydrophobicContact CZ3-CB 3.92Å; W258-A288 WeakPolarHBondContact CZ3-O 3.36Å; S260-A288 CarbonylContact C-O 3.59Å; S260-A288 WeakPolarHBondContact CA-O 3.36Å; S260-A288 WeakPolarHBondContact CB-O 3.32Å; L261-A288 HydrophobicContact CD1-CB 4.45Å; L261-A288 HydrophobicContact CG-CB 4.28Å; L261-A288 PolarHBondContact N-O 2.78Å; L261-A288 PolarHBondContact O-N 2.92Å; A288-A295 CarbonylContact C-O 3.57Å; A288-A295 WeakPolarHBondContact CA-O 3.4Å; A288-L296 HydrophobicContact CB-CD1 3.76Å; A288-P311 HydrophobicContact CB-CB 4.39Å |
| 289 | S | 89.1 | Confident | 92.9 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.6 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | K259 Y287 S294 A295 P311 | K259-S289 CarbonylContact O-C 3.57Å; K259-S289 VanDerWaalsContact O-CA 3.23Å; K259-S289 WeakPolarHBondContact O-CA 3.47Å; K259-S289 PolarHBondContact O-OG 2.99Å; Y287-S289 WeakPolarHBondContact OH-CB 3.29Å; S289-S294 CarbonylContact O-C 3.57Å; S289-S294 VanDerWaalsContact O-CA 3.28Å; S289-S294 WeakPolarHBondContact O-CA 3.38Å; S289-A295 PolarHBondContact N-O 2.89Å; S289-A295 PolarHBondContact O-N 2.89Å; S289-P311 WeakPolarHBondContact O-CG 3.48Å |
| 290 | Q | 85.1 | Confident | 93.1 | Very high | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | trans | -133.5 | 17.5 | 175.1 | 66.1 | 173.7 | 6.6 | 0 | 0 | 113.3 | W258 K259 | W258-Q290 HydrophobicContact CD2-CG 4.04Å; W258-Q290 HydrophobicContact CE3-CG 4.29Å; W258-Q290 HydrophobicContact CH2-CB 4.29Å; W258-Q290 HydrophobicContact CH2-CG 4.13Å; W258-Q290 HydrophobicContact CZ2-CB 4.25Å; W258-Q290 HydrophobicContact CZ2-CG 3.91Å; W258-Q290 HydrophobicContact CZ3-CG 4.34Å; W258-Q290 VanDerWaalsContact NE1-NE2 3.12Å; W258-Q290 VanDerWaalsContact O-CD 3.31Å; W258-Q290 WeakPolarHBondContact O-CG 3.12Å; W258-Q290 PolarHBondContact O-NE2 2.94Å; K259-Q290 PolarHBondContact O-N 2.79Å | ||
| 291 | W | 75.9 | Confident | 93.2 | Very high | 174 Ų | 174 | 48.4 Ų | 48.4 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -76.6 | -63 | -171 | -176.1 | 39.1 | 0 | 0 | 0 | 114.3 | K259 | K259-W291 HydrophobicContact CB-CB 4.07Å; K259-W291 HydrophobicContact CB-CG 4.38Å; K259-W291 HydrophobicContact CD-CB 4.17Å; K259-W291 HydrophobicContact CD-CG 4.19Å; K259-W291 HydrophobicContact CG-CB 4.49Å; K259-W291 HydrophobicContact CG-CG 4.43Å |
| 292 | L | 78.1 | Confident | 93.2 | Very high | 140 Ų | 140 | 50.4 Ų | 50.4 | 73% | 0.733 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -107.2 | -45.6 | 179.6 | -72.3 | 169 | 0 | 0 | 0 | 111.1 | ||
| 293 | Q | 84.4 | Confident | 93.2 | Very high | 167 Ų | 167 | 59.2 Ų | 59.2 | 78% | 0.78 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -132.3 | 139.2 | 172.3 | -69.8 | 179.7 | -18.4 | 0 | 0 | 107.6 | A295 | Q293-A295 PolarHBondContact O-N 2.89Š|
| 294 | S | 90.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | trans | -66.9 | 125.5 | 172 | -74.6 | 0 | 0 | 0 | 0 | 109 | S289 | S289-S294 CarbonylContact O-C 3.57Å; S289-S294 VanDerWaalsContact O-CA 3.28Å; S289-S294 WeakPolarHBondContact O-CA 3.38Å | ||
| 295 | A | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137.2 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y287 A288 S289 Q293 | Y287-A295 HydrophobicContact CE1-CB 4.26Å; A288-A295 CarbonylContact C-O 3.57Å; A288-A295 WeakPolarHBondContact CA-O 3.4Å; S289-A295 PolarHBondContact N-O 2.89Å; S289-A295 PolarHBondContact O-N 2.89Å; Q293-A295 PolarHBondContact O-N 2.89Å |
| 296 | L | 96.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132 | 171.6 | -166.1 | 73.3 | 0 | 0 | 0 | 108.2 | L286 Y287 A288 L307 W309 L337 | L286-L296 HydrophobicContact CD1-CD1 4Å; L286-L296 HydrophobicContact CD1-CD2 4.46Å; L286-L296 HydrophobicContact CD1-CG 4.05Å; L286-L296 HydrophobicContact CD2-CD1 4.1Å; L286-L296 HydrophobicContact CG-CD1 4.02Å; Y287-L296 CarbonylContact O-C 3.6Å; Y287-L296 WeakPolarHBondContact O-CA 3.48Å; A288-L296 HydrophobicContact CB-CD1 3.76Å; L296-L307 HydrophobicContact CB-CB 4.22Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 3.98Å; L296-L307 HydrophobicContact CG-CB 4.2Å; L296-L307 HydrophobicContact CG-CD1 4.09Å; L296-L307 PolarHBondContact O-N 2.82Å; L296-W309 HydrophobicContact CD2-CB 3.9Å; L296-L337 HydrophobicContact CD2-CD1 4.36Å; L296-L337 HydrophobicContact CD2-CD2 4Å |
| 297 | A | 98.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 73 Ų | 73 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y287 K305 | Y287-A297 HydrophobicContact CD1-CB 4.34Å; Y287-A297 PolarHBondContact N-O 2.76Å; Y287-A297 PolarHBondContact O-N 3.43Å; A297-K305 CarbonylContact C-O 3.5Å; A297-K305 WeakPolarHBondContact CA-O 3.26Å; A297-K305 WeakPolarHBondContact CB-O 3.43Å |
| 298 | A | 98.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 78 Ų | 78 | 3% | 0.025 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A304 K305 L307 H338 F340 | A298-A304 CarbonylContact O-C 3.57Å; A298-A304 WeakPolarHBondContact O-CA 3.4Å; A298-K305 PolarHBondContact N-O 2.92Å; A298-K305 PolarHBondContact O-N 2.93Å; A298-L307 HydrophobicContact CB-CD1 4.48Å; A298-H338 HydrophobicContact CB-CB 4.1Å; A298-H338 WeakPolarHBondContact CB-CD2 3.32Å; A298-H338 VanDerWaalsContact CB-CG 3.44Å; A298-H338 WeakPolarHBondContact CB-NE2 3.47Å; A298-F340 HydrophobicContact CB-CE1 4.41Å; A298-F340 HydrophobicContact CB-CE2 4.19Å; A298-F340 HydrophobicContact CB-CZ 3.7Å |
| 299 | K | 98.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 83.4 Ų | 83.4 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.7 | -175.7 | -61.2 | -177.5 | 173 | 172.5 | 0 | 112.7 | C285 Y287 R303 A304 | C285-K299 PolarHBondContact N-O 2.87Å; C285-K299 PolarHBondContact O-N 2.98Å; Y287-K299 HydrophobicContact CG-CD 4.4Å; K299-R303 VanDerWaalsContact CA-O 3.27Å; K299-R303 WeakPolarHBondContact CA-O 3.49Å; K299-A304 HydrophobicContact CG-CB 3.91Å |
| 300 | H | 98 | Very high | 93.2 | Very high | 53 Ų | 53 | 86 Ų | 86 | 25% | 0.245 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 139.9 | 174 | 170.3 | 66.2 | 0 | 0 | 0 | 110.1 | G278 S281 S283 W284 N302 R303 F340 | G278-H300 CarbonylContact O-C 3.59Å; G278-H300 VanDerWaalsContact O-C 3.24Å; G278-H300 WeakPolarHBondContact O-CA 3.49Å; S281-H300 PolarHBondContact O-CE1 3.11Å; S283-H300 PolarHBondContact O-ND1 2.99Å; W284-H300 AromaticContact CD1-CE1 3.9Å; W284-H300 AromaticContact CD1-CG 3.45Å; W284-H300 VanDerWaalsContact CD1-CG 3.45Å; W284-H300 AromaticContact CD1-ND1 3.34Å; W284-H300 VanDerWaalsContact CD1-ND1 3.34Å; W284-H300 AromaticContact CD2-ND1 3.75Å; W284-H300 AromaticContact CE2-CE1 3.26Å; W284-H300 AromaticContact CE2-ND1 3.37Å; W284-H300 HydrophobicContact CG-CB 4.39Å; W284-H300 AromaticContact CG-ND1 3.73Å; W284-H300 AromaticContact CZ2-CE1 3.42Å; W284-H300 VanDerWaalsContact CZ2-CE1 3.42Å; W284-H300 WeakPolarHBondContact CZ2-CE1 3.41Å; W284-H300 AromaticContact CZ2-ND1 3.97Å; W284-H300 AromaticContact NE1-CD2 3.71Å; W284-H300 AromaticContact NE1-CE1 3.18Å; W284-H300 PolarHBondContact NE1-CE1 3.38Å; W284-H300 AromaticContact NE1-CG 3.43Å; W284-H300 AromaticContact NE1-ND1 3.12Å; W284-H300 PolarHBondContact NE1-ND1 3.41Å; W284-H300 VanDerWaalsContact NE1-ND1 3.12Å; W284-H300 AromaticContact NE1-NE2 3.57Å; H300-N302 VanDerWaalsContact C-N 3.31Å; H300-N302 PolarHBondContact O-N 3.08Å; H300-R303 PolarHBondContact N-O 2.76Å; H300-R303 WeakPolarHBondContact O-CB 3.44Å; H300-R303 PolarHBondContact O-N 3.47Å; H300-F340 HydrophobicContact CB-CD1 4.36Å; H300-F340 HydrophobicContact CB-CE1 3.71Å; H300-F340 HydrophobicContact CB-CZ 4.15Å |
| 301 | G | 96.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 83.5 Ų | 83.5 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 38.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G278 S280 R303 | G278-G301 PolarHBondContact O-N 3.02Å; G278-G301 VanDerWaalsContact O-N 3.16Å; S280-G301 WeakPolarHBondContact O-CA 3.15Å; S280-G301 PolarHBondContact O-N 3.34Å; G301-R303 PolarHBondContact O-N 2.73Å |
| 302 | N | 96.4 | Very high | 94.2 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 18.7 | -174.9 | -159.6 | 38.3 | 0 | 0 | 0 | 114.1 | G278 K279 H300 | G278-N302 PolarHBondContact O-N 2.82Å; K279-N302 WeakPolarHBondContact O-CB 3.43Å; K279-N302 PolarHBondContact O-N 3.05Å; K279-N302 VanDerWaalsContact O-N 3.15Å; H300-N302 VanDerWaalsContact C-N 3.31Å; H300-N302 PolarHBondContact O-N 3.08Å |
| 303 | R | 96.9 | Very high | 94.6 | Very high | 207 Ų | 207 | 72.9 Ų | 72.9 | 78% | 0.781 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.9 | 172.4 | -61 | 179.6 | 179.7 | 176.2 | -0.4 | 109.1 | K299 H300 G301 | K299-R303 VanDerWaalsContact CA-O 3.27Å; K299-R303 WeakPolarHBondContact CA-O 3.49Å; H300-R303 PolarHBondContact N-O 2.76Å; H300-R303 WeakPolarHBondContact O-CB 3.44Å; H300-R303 PolarHBondContact O-N 3.47Å; G301-R303 PolarHBondContact O-N 2.73Å |
| 304 | A | 97.8 | Very high | 94.8 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A298 K299 | A298-A304 CarbonylContact O-C 3.57Å; A298-A304 WeakPolarHBondContact O-CA 3.4Å; K299-A304 HydrophobicContact CG-CB 3.91Å |
| 305 | K | 98.1 | Very high | 94.8 | Very high | 129 Ų | 129 | 63.5 Ų | 63.5 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110.4 | 170.3 | -178.9 | 179.1 | -179.7 | 178.6 | 0 | 108.1 | A297 A298 L307 | A297-K305 CarbonylContact C-O 3.5Å; A297-K305 WeakPolarHBondContact CA-O 3.26Å; A297-K305 WeakPolarHBondContact CB-O 3.43Å; A298-K305 PolarHBondContact N-O 2.92Å; A298-K305 PolarHBondContact O-N 2.93Å; K305-L307 HydrophobicContact CD-CD2 4.49Å; K305-L307 HydrophobicContact CG-CD2 4.4Å |
| 306 | A | 98.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 141.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 307 | L | 97.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | trans | -118.8 | 130.4 | 179 | -56.8 | 178.5 | 0 | 0 | 0 | 108.4 | L286 L296 A298 K305 W309 L337 H338 | L286-L307 HydrophobicContact CD1-CD1 3.68Å; L296-L307 HydrophobicContact CB-CB 4.22Å; L296-L307 HydrophobicContact CD2-CB 4.02Å; L296-L307 HydrophobicContact CD2-CD1 3.98Å; L296-L307 HydrophobicContact CG-CB 4.2Å; L296-L307 HydrophobicContact CG-CD1 4.09Å; L296-L307 PolarHBondContact O-N 2.82Å; A298-L307 HydrophobicContact CB-CD1 4.48Å; K305-L307 HydrophobicContact CD-CD2 4.49Å; K305-L307 HydrophobicContact CG-CD2 4.4Å; L307-W309 PolarHBondContact O-N 2.96Å; L307-L337 HydrophobicContact CD1-CB 4.49Å; L307-H338 HydrophobicContact CD1-CB 4.19Å | ||
| 308 | D | 93.9 | Very high | 94.5 | Very high | 160 Ų | 160 | 63.7 Ų | 63.7 | 86% | 0.856 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -82.6 | 44.2 | -175.9 | -56.4 | -46.7 | 0 | 0 | 0 | 112.1 | ||
| 309 | W | 92.9 | Very high | 94.3 | Very high | 114 Ų | 114 | 63.6 Ų | 63.6 | 43% | 0.432 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -125.9 | 144.1 | -179.1 | -58.1 | 124.7 | 0 | 0 | 0 | 111 | L296 L307 L337 | L296-W309 HydrophobicContact CD2-CB 3.9Å; L307-W309 PolarHBondContact O-N 2.96Å; W309-L337 HydrophobicContact CB-CD2 4.13Å; W309-L337 HydrophobicContact CG-CD2 4.12Å |
| 310 | P | 92.1 | Very high | 94 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 149.6 | 172 | 28.8 | -34.7 | 0 | 0 | 0 | 110.1 | ||
| 311 | P | 90.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.104 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 128 | 174.6 | -28.3 | 35.9 | 0 | 0 | 0 | 113 | W258 A288 S289 | W258-P311 HydrophobicContact CH2-CB 3.62Å; W258-P311 HydrophobicContact CH2-CG 4.27Å; W258-P311 HydrophobicContact CZ2-CB 3.64Å; A288-P311 HydrophobicContact CB-CB 4.39Å; S289-P311 WeakPolarHBondContact O-CG 3.48Å |
| 312 | P | 90.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 148.6 | 179.6 | 30.5 | -37.8 | 0 | 0 | 0 | 112.1 | I315 D330 L337 | P312-I315 HydrophobicContact CB-CG1 4.06Å; P312-I315 HydrophobicContact CG-CD1 3.93Å; P312-I315 HydrophobicContact CG-CG1 3.32Å; P312-D330 HydrophobicContact CB-CB 4.03Å; P312-L337 HydrophobicContact CG-CD1 3.94Å |
| 313 | Q | 87.6 | Confident | 93.5 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -92 | -4.9 | 173.6 | -58.9 | -59.8 | -44.8 | 0 | 0 | 112.7 | R253 P254 | R253-Q313 WeakPolarHBondContact CG-O 3.38Å; R253-Q313 PolarHBondContact NE-O 2.91Å; P254-Q313 WeakPolarHBondContact CD-O 3.4Å |
| 314 | R | 89 | Confident | 93.4 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -151.5 | 116.6 | 173.3 | -173.1 | -169.1 | -69.5 | -116.8 | 7.5 | 108.5 | E251 L252 V331 D332 | E251-R314 WeakPolarHBondContact OE2-CD 3.49Å; E251-R314 IonicContact OE2-CZ 2.79Å; E251-R314 IonicContact OE2-NH1 3.16Å; E251-R314 PolarHBondContact OE2-NH1 2.96Å; L252-R314 WeakPolarHBondContact O-CA 3.35Å; R314-V331 HydrophobicContact CB-CB 4.23Å; R314-V331 VanDerWaalsContact CD-CB 3.46Å; R314-V331 HydrophobicContact CG-CB 3.8Å; R314-V331 HydrophobicContact CG-CG1 4.21Å; R314-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 PolarHBondContact O-N 3.29Å; R314-V331 VanDerWaalsContact O-N 3.09Å; R314-D332 WeakPolarHBondContact CB-OD2 3.34Å; R314-D332 WeakPolarHBondContact CD-OD1 3.38Å; R314-D332 IonicContact CZ-OD1 2.97Å; R314-D332 IonicContact NE-OD1 2.77Å; R314-D332 PolarHBondContact NE-OD1 2.98Å |
| 315 | I | 90.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.7 | -178.2 | -58.6 | 160 | 0 | 0 | 0 | 107.9 | E251 L252 L261 V263 L286 P312 V317 F328 I329 | E251-I315 CarbonylContact C-O 3.56Å; E251-I315 VanDerWaalsContact CA-O 3.29Å; E251-I315 WeakPolarHBondContact CA-O 3.26Å; L252-I315 HydrophobicContact CD1-CD1 4.16Å; L252-I315 HydrophobicContact CD2-CB 3.9Å; L252-I315 HydrophobicContact CD2-CG2 4.13Å; L252-I315 WeakPolarHBondContact CD2-O 3.39Å; L252-I315 HydrophobicContact CG-CB 3.96Å; L252-I315 PolarHBondContact N-O 3.26Å; L252-I315 PolarHBondContact O-N 3.16Å; L261-I315 HydrophobicContact CD1-CD1 4.09Å; V263-I315 HydrophobicContact CG1-CD1 4Å; V263-I315 HydrophobicContact CG1-CG2 4.1Å; L286-I315 HydrophobicContact CD2-CD1 4.3Å; L286-I315 HydrophobicContact CD2-CG1 4.48Å; L286-I315 HydrophobicContact CD2-CG2 4.12Å; P312-I315 HydrophobicContact CB-CG1 4.06Å; P312-I315 HydrophobicContact CG-CD1 3.93Å; P312-I315 HydrophobicContact CG-CG1 3.32Å; I315-V317 HydrophobicContact CG2-CG2 4.23Å; I315-F328 HydrophobicContact CG2-CD1 4.42Å; I315-I329 CarbonylContact C-O 3.54Å; I315-I329 WeakPolarHBondContact CA-O 3.23Å |
| 316 | G | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | F328 I329 V331 | G316-F328 WeakPolarHBondContact O-CA 3.21Å; G316-I329 PolarHBondContact N-O 2.94Å; G316-I329 PolarHBondContact O-N 3.04Å; G316-V331 VanDerWaalsContact N-CG2 3.32Å |
| 317 | V | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.9 | 173 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | Y249 W250 L252 V263 I315 L326 M327 F328 | Y249-V317 VanDerWaalsContact CA-O 3.29Å; Y249-V317 WeakPolarHBondContact CA-O 3.31Å; Y249-V317 VanDerWaalsContact CD2-O 3.24Å; Y249-V317 WeakPolarHBondContact CD2-O 3.39Å; W250-V317 HydrophobicContact CD2-CB 3.98Å; W250-V317 HydrophobicContact CD2-CG1 4.43Å; W250-V317 HydrophobicContact CG-CB 4.44Å; W250-V317 HydrophobicContact CH2-CB 4.27Å; W250-V317 HydrophobicContact CH2-CG1 3.65Å; W250-V317 HydrophobicContact CZ2-CB 3.71Å; W250-V317 HydrophobicContact CZ2-CG1 3.32Å; W250-V317 HydrophobicContact CZ2-CG2 4.37Å; W250-V317 HydrophobicContact CZ3-CG1 4.32Å; W250-V317 PolarHBondContact N-O 3.29Å; W250-V317 PolarHBondContact O-N 2.89Å; L252-V317 HydrophobicContact CD2-CG2 3.99Å; V263-V317 HydrophobicContact CG2-CG2 4.18Å; I315-V317 HydrophobicContact CG2-CG2 4.23Å; V317-L326 HydrophobicContact CG1-CD1 3.73Å; V317-M327 WeakPolarHBondContact CA-O 3.19Å; V317-F328 HydrophobicContact CG1-CE1 4.18Å; V317-F328 HydrophobicContact CG2-CD1 4.04Å; V317-F328 HydrophobicContact CG2-CE1 4.03Å |
| 318 | Y | 94 | Very high | 93.3 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | 173.9 | 173.1 | -94.6 | 0 | 0 | 0 | 109.1 | C247 H248 D320 L326 M327 | C247-Y318 HydrophobicContact CB-CE2 3.89Å; C247-Y318 WeakPolarHBondContact CB-OH 3.42Å; C247-Y318 PolarHBondContact SG-OH 3.06Å; H248-Y318 CarbonylContact O-C 3.49Å; H248-Y318 WeakPolarHBondContact O-CA 3.22Å; Y318-D320 HydrophobicContact CE1-CB 3.82Å; Y318-L326 CarbonylContact O-C 3.41Å; Y318-L326 WeakPolarHBondContact O-CA 3.45Å; Y318-M327 HydrophobicContact CD1-CB 4.39Å; Y318-M327 HydrophobicContact CD1-CG 3.97Å; Y318-M327 HydrophobicContact CD1-SD 3.69Å; Y318-M327 HydrophobicContact CE1-SD 4.17Å; Y318-M327 PolarHBondContact N-O 3.16Å; Y318-M327 PolarHBondContact O-N 2.96Å |
| 319 | C | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.1 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | I243 C247 H248 W250 L326 | I243-C319 HydrophobicContact CD1-CB 4.42Å; C247-C319 CarbonylContact C-O 3.24Å; C247-C319 WeakPolarHBondContact CA-O 3.36Å; H248-C319 PolarHBondContact N-O 2.91Å; H248-C319 PolarHBondContact O-N 3.19Å; W250-C319 HydrophobicContact CH2-CB 4.12Å; W250-C319 HydrophobicContact CZ3-CB 4Å; C319-L326 HydrophobicContact CB-CD1 4.09Å |
| 320 | D | 92.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 99.1 | 163.5 | -171.9 | -30 | 0 | 0 | 0 | 107.6 | Y318 D322 N323 G324 E325 | Y318-D320 HydrophobicContact CE1-CB 3.82Å; D320-D322 PolarHBondContact OD1-N 2.86Å; D320-N323 HydrophobicContact CB-CB 4.46Å; D320-N323 PolarHBondContact OD1-N 2.91Å; D320-N323 PolarHBondContact OD1-ND2 2.95Å; D320-N323 PolarHBondContact OD2-ND2 3.31Å; D320-G324 PolarHBondContact O-N 3.42Å; D320-E325 HydrophobicContact CB-CB 4.27Å; D320-E325 PolarHBondContact N-O 2.86Å; D320-E325 PolarHBondContact O-N 2.91Å |
| 321 | H | 92.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 12% | 0.116 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -41.2 | -176.3 | -178.1 | -79.9 | 0 | 0 | 0 | 111.2 | I243 G246 G324 Q346 | I243-H321 HydrophobicContact CG2-CB 3.89Å; I243-H321 PolarHBondContact O-CD2 3.46Å; G246-H321 PolarHBondContact O-N 2.78Å; H321-G324 PolarHBondContact O-N 2.85Å; H321-Q346 PolarHBondContact NE2-O 3.1Å |
| 322 | D | 92.2 | Very high | 93 | Very high | 112 Ų | 112 | 31.7 Ų | 31.7 | 60% | 0.599 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -41.7 | -173.7 | -61.8 | -33 | 0 | 0 | 0 | 111.8 | G245 G246 D320 | G245-D322 WeakPolarHBondContact CA-OD1 3.43Å; G246-D322 VanDerWaalsContact CA-OD2 3.31Å; G246-D322 WeakPolarHBondContact CA-OD2 3.19Å; G246-D322 VanDerWaalsContact N-CG 3.31Å; G246-D322 PolarHBondContact N-OD1 3.34Å; G246-D322 PolarHBondContact N-OD2 2.92Å; D320-D322 PolarHBondContact OD1-N 2.86Å |
| 323 | N | 94.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 39.6 Ų | 39.6 | 66% | 0.658 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.5 | 177.9 | -64.3 | -53 | 0 | 0 | 0 | 113.5 | D320 | D320-N323 HydrophobicContact CB-CB 4.46Å; D320-N323 PolarHBondContact OD1-N 2.91Å; D320-N323 PolarHBondContact OD1-ND2 2.95Å; D320-N323 PolarHBondContact OD2-ND2 3.31Å |
| 324 | G | 95.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D320 H321 R341 S342 | D320-G324 PolarHBondContact O-N 3.42Å; H321-G324 PolarHBondContact O-N 2.85Å; G324-R341 CarbonylContact O-C 3.49Å; G324-R341 WeakPolarHBondContact O-CA 3.08Å; G324-S342 CarbonylContact C-O 3.58Å; G324-S342 WeakPolarHBondContact CA-O 2.92Å; G324-S342 PolarHBondContact O-N 2.82Å; G324-S342 VanDerWaalsContact O-O 3.06Å |
| 325 | E | 96.8 | Very high | 93 | Very high | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130 | 178.9 | -60.5 | -157.8 | 136.6 | 0 | 0 | 111.4 | D320 R341 | D320-E325 HydrophobicContact CB-CB 4.27Å; D320-E325 PolarHBondContact N-O 2.86Å; D320-E325 PolarHBondContact O-N 2.91Å; E325-R341 HydrophobicContact CG-CG 4.43Å; E325-R341 IonicContact OE1-CZ 3.23Å; E325-R341 VanDerWaalsContact OE1-CZ 3.23Å; E325-R341 IonicContact OE1-NE 2.77Å; E325-R341 PolarHBondContact OE1-NE 3.4Å; E325-R341 IonicContact OE1-NH2 2.84Å; E325-R341 PolarHBondContact OE1-NH2 3.23Å |
| 326 | L | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 117 | 171.4 | 177.7 | 75.4 | 0 | 0 | 0 | 109.1 | V265 W284 V317 Y318 C319 F328 I339 F340 F344 | V265-L326 HydrophobicContact CG1-CD1 4.03Å; V265-L326 HydrophobicContact CG2-CD1 4.05Å; V265-L326 HydrophobicContact CG2-CD2 3.59Å; V265-L326 HydrophobicContact CG2-CG 4.43Å; W284-L326 HydrophobicContact CB-CD2 3.55Å; W284-L326 HydrophobicContact CG-CD2 4.37Å; V317-L326 HydrophobicContact CG1-CD1 3.73Å; Y318-L326 CarbonylContact O-C 3.41Å; Y318-L326 WeakPolarHBondContact O-CA 3.45Å; C319-L326 HydrophobicContact CB-CD1 4.09Å; L326-F328 HydrophobicContact CD2-CE2 3.76Å; L326-F328 HydrophobicContact CD2-CZ 3.76Å; L326-F328 HydrophobicContact CG-CE2 3.95Å; L326-F328 HydrophobicContact CG-CZ 4.11Å; L326-I339 CarbonylContact O-C 3.6Å; L326-I339 WeakPolarHBondContact O-CA 3.3Å; L326-F340 HydrophobicContact CB-CB 4.31Å; L326-F340 HydrophobicContact CD2-CD2 4.01Å; L326-F340 PolarHBondContact N-O 2.65Å; L326-F340 PolarHBondContact O-N 3.45Å; L326-F344 HydrophobicContact CB-CZ 4.11Å |
| 327 | M | 97.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.3 | -175.4 | -48.2 | 176.3 | 61.8 | 0 | 0 | 110.7 | V317 Y318 I329 L336 H338 I339 L370 | V317-M327 WeakPolarHBondContact CA-O 3.19Å; Y318-M327 HydrophobicContact CD1-CB 4.39Å; Y318-M327 HydrophobicContact CD1-CG 3.97Å; Y318-M327 HydrophobicContact CD1-SD 3.69Å; Y318-M327 HydrophobicContact CE1-SD 4.17Å; Y318-M327 PolarHBondContact N-O 3.16Å; Y318-M327 PolarHBondContact O-N 2.96Å; M327-I329 HydrophobicContact CB-CD1 4.09Å; M327-L336 HydrophobicContact CB-CD1 4.12Å; M327-L336 HydrophobicContact CE-CD1 3.56Å; M327-L336 HydrophobicContact CE-CD2 4.34Å; M327-H338 WeakPolarHBondContact CA-O 3.43Å; M327-I339 HydrophobicContact CB-CG1 4.45Å; M327-I339 HydrophobicContact CE-CD1 3.84Å; M327-I339 HydrophobicContact CE-CG1 4.17Å; M327-I339 HydrophobicContact CG-CD1 4.36Å; M327-I339 HydrophobicContact CG-CG1 4Å; M327-I339 HydrophobicContact CG-CG2 4.26Å; M327-L370 HydrophobicContact CE-CD1 3.8Å |
| 328 | F | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.7 | 172.7 | -64.6 | -83.6 | 0 | 0 | 0 | 109.5 | V263 L286 I315 G316 V317 L326 L337 H338 F340 | V263-F328 HydrophobicContact CG1-CE1 4.44Å; V263-F328 VanDerWaalsContact O-CE1 3.24Å; V263-F328 WeakPolarHBondContact O-CE1 3.5Å; L286-F328 HydrophobicContact CB-CB 4.49Å; L286-F328 HydrophobicContact CB-CD1 3.54Å; L286-F328 HydrophobicContact CB-CD2 4.31Å; L286-F328 HydrophobicContact CB-CE1 3.72Å; L286-F328 HydrophobicContact CB-CE2 4.46Å; L286-F328 HydrophobicContact CB-CG 3.85Å; L286-F328 HydrophobicContact CB-CZ 4.18Å; L286-F328 HydrophobicContact CD2-CB 4.18Å; L286-F328 HydrophobicContact CD2-CD1 4.19Å; L286-F328 HydrophobicContact CD2-CG 4.36Å; L286-F328 HydrophobicContact CG-CD1 4.44Å; I315-F328 HydrophobicContact CG2-CD1 4.42Å; G316-F328 WeakPolarHBondContact O-CA 3.21Å; V317-F328 HydrophobicContact CG1-CE1 4.18Å; V317-F328 HydrophobicContact CG2-CD1 4.04Å; V317-F328 HydrophobicContact CG2-CE1 4.03Å; L326-F328 HydrophobicContact CD2-CE2 3.76Å; L326-F328 HydrophobicContact CD2-CZ 3.76Å; L326-F328 HydrophobicContact CG-CE2 3.95Å; L326-F328 HydrophobicContact CG-CZ 4.11Å; F328-L337 HydrophobicContact CB-CB 4.26Å; F328-L337 WeakPolarHBondContact O-CA 3.28Å; F328-L337 WeakPolarHBondContact O-CB 3.21Å; F328-L337 PolarHBondContact O-N 2.88Å; F328-H338 HydrophobicContact CD2-CB 4.39Å; F328-H338 PolarHBondContact N-O 3.04Å; F328-H338 PolarHBondContact O-N 2.86Å; F328-F340 HydrophobicContact CD2-CD2 4.43Å; F328-F340 HydrophobicContact CD2-CE2 4.36Å; F328-F340 AromaticContact CE2-CD2 3.74Å; F328-F340 HydrophobicContact CE2-CD2 3.74Å; F328-F340 AromaticContact CE2-CE2 3.63Å; F328-F340 HydrophobicContact CE2-CE2 3.63Å |
| 329 | I | 94.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135 | -174.9 | -57.3 | 98 | 0 | 0 | 0 | 109.7 | I315 G316 M327 V331 R335 L336 I368 | I315-I329 CarbonylContact C-O 3.54Å; I315-I329 WeakPolarHBondContact CA-O 3.23Å; G316-I329 PolarHBondContact N-O 2.94Å; G316-I329 PolarHBondContact O-N 3.04Å; M327-I329 HydrophobicContact CB-CD1 4.09Å; I329-V331 HydrophobicContact CG2-CG2 4.43Å; I329-V331 PolarHBondContact O-N 2.77Å; I329-R335 CarbonylContact C-O 3.58Å; I329-R335 WeakPolarHBondContact CA-O 3.33Å; I329-L336 HydrophobicContact CG1-CD1 4.47Å; I329-I368 HydrophobicContact CB-CD1 4.26Å; I329-I368 HydrophobicContact CD1-CD1 3.52Å; I329-I368 HydrophobicContact CG1-CD1 3.76Å; I329-I368 HydrophobicContact CG2-CD1 4.3Å |
| 330 | D | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 101.6 | 161 | 179.3 | -11.8 | 0 | 0 | 0 | 107.5 | P312 R333 L334 R335 L337 | P312-D330 HydrophobicContact CB-CB 4.03Å; D330-R333 CarbonylContact O-C 3.5Å; D330-R333 PolarHBondContact O-N 3.33Å; D330-R333 PolarHBondContact OD1-N 2.68Å; D330-R333 VanDerWaalsContact OD2-CD 3.29Å; D330-R333 WeakPolarHBondContact OD2-CD 3.5Å; D330-R333 IonicContact OD2-NE 2.61Å; D330-L334 WeakPolarHBondContact O-CA 3.21Å; D330-L334 PolarHBondContact O-N 3.47Å; D330-R335 HydrophobicContact CB-CB 4.37Å; D330-R335 PolarHBondContact N-O 3.42Å; D330-R335 PolarHBondContact O-N 2.91Å; D330-R335 IonicContact OD2-CZ 2.84Å; D330-R335 IonicContact OD2-NE 2.82Å; D330-R335 IonicContact OD2-NH2 2.57Å; D330-R335 PolarHBondContact OD2-NH2 3.1Å; D330-L337 HydrophobicContact CB-CD1 4.08Å; D330-L337 HydrophobicContact CB-CD2 3.93Å; D330-L337 HydrophobicContact CB-CG 4.02Å |
| 331 | V | 87.1 | Confident | 94.1 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -38.5 | -168 | 175 | 0 | 0 | 0 | 0 | 111.1 | Y249 E251 R314 G316 I329 R333 L334 | Y249-V331 WeakPolarHBondContact OH-CG2 3.19Å; E251-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 HydrophobicContact CB-CB 4.23Å; R314-V331 VanDerWaalsContact CD-CB 3.46Å; R314-V331 HydrophobicContact CG-CB 3.8Å; R314-V331 HydrophobicContact CG-CG1 4.21Å; R314-V331 HydrophobicContact CG-CG2 4.24Å; R314-V331 PolarHBondContact O-N 3.29Å; R314-V331 VanDerWaalsContact O-N 3.09Å; G316-V331 VanDerWaalsContact N-CG2 3.32Å; I329-V331 HydrophobicContact CG2-CG2 4.43Å; I329-V331 PolarHBondContact O-N 2.77Å; V331-R333 PolarHBondContact O-N 3.27Å; V331-L334 WeakPolarHBondContact O-CD2 3.47Å; V331-L334 PolarHBondContact O-N 3.34Å |
| 332 | D | 86.6 | Confident | 94.2 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.5 | -179.1 | -65.5 | -32.9 | 0 | 0 | 0 | 111.2 | R314 | R314-D332 WeakPolarHBondContact CB-OD2 3.34Å; R314-D332 WeakPolarHBondContact CD-OD1 3.38Å; R314-D332 IonicContact CZ-OD1 2.97Å; R314-D332 IonicContact NE-OD1 2.77Å; R314-D332 PolarHBondContact NE-OD1 2.98Å |
| 333 | R | 88.4 | Confident | 94.3 | Very high | 170 Ų | 170 | 60.1 Ų | 60.1 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 5.3 | 177 | -58.9 | -178.6 | -172.5 | -101 | 1 | 114.2 | D330 V331 R335 | D330-R333 CarbonylContact O-C 3.5Å; D330-R333 PolarHBondContact O-N 3.33Å; D330-R333 PolarHBondContact OD1-N 2.68Å; D330-R333 VanDerWaalsContact OD2-CD 3.29Å; D330-R333 WeakPolarHBondContact OD2-CD 3.5Å; D330-R333 IonicContact OD2-NE 2.61Å; V331-R333 PolarHBondContact O-N 3.27Å; R333-R335 VanDerWaalsContact C-N 3.26Å; R333-R335 HydrophobicContact CB-CB 4.47Å; R333-R335 PolarHBondContact O-N 3.16Å |
| 334 | L | 87.4 | Confident | 94.3 | Very high | 148 Ų | 148 | 55 Ų | 55 | 78% | 0.775 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 46.2 | -178.1 | -59.1 | 175.9 | 0 | 0 | 0 | 113.4 | D330 V331 | D330-L334 WeakPolarHBondContact O-CA 3.21Å; D330-L334 PolarHBondContact O-N 3.47Å; V331-L334 WeakPolarHBondContact O-CD2 3.47Å; V331-L334 PolarHBondContact O-N 3.34Å |
| 335 | R | 90.7 | Very high | 94.1 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.2 | -170.9 | 173.8 | 177.3 | 52.3 | -175.9 | -2.2 | 112 | I329 D330 R333 L337 | I329-R335 CarbonylContact C-O 3.58Å; I329-R335 WeakPolarHBondContact CA-O 3.33Å; D330-R335 HydrophobicContact CB-CB 4.37Å; D330-R335 PolarHBondContact N-O 3.42Å; D330-R335 PolarHBondContact O-N 2.91Å; D330-R335 IonicContact OD2-CZ 2.84Å; D330-R335 IonicContact OD2-NE 2.82Å; D330-R335 IonicContact OD2-NH2 2.57Å; D330-R335 PolarHBondContact OD2-NH2 3.1Å; R333-R335 VanDerWaalsContact C-N 3.26Å; R333-R335 HydrophobicContact CB-CB 4.47Å; R333-R335 PolarHBondContact O-N 3.16Å; R335-L337 PolarHBondContact O-N 2.98Å |
| 336 | L | 95.9 | Very high | 94 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118.8 | 169.8 | -179.8 | 65.3 | 0 | 0 | 0 | 110.6 | M327 I329 I339 | M327-L336 HydrophobicContact CB-CD1 4.12Å; M327-L336 HydrophobicContact CE-CD1 3.56Å; M327-L336 HydrophobicContact CE-CD2 4.34Å; I329-L336 HydrophobicContact CG1-CD1 4.47Å; L336-I339 HydrophobicContact CD1-CD1 4.3Å; L336-I339 HydrophobicContact CD1-CG1 3.78Å; L336-I339 HydrophobicContact CD2-CD1 3.61Å; L336-I339 HydrophobicContact CD2-CG1 3.78Å; L336-I339 HydrophobicContact CG-CG1 4.2Å |
| 337 | L | 95.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -46.5 | 177.6 | -62 | 172.8 | 0 | 0 | 0 | 111.4 | L286 L296 L307 W309 P312 F328 D330 R335 | L286-L337 HydrophobicContact CD2-CD1 3.82Å; L296-L337 HydrophobicContact CD2-CD1 4.36Å; L296-L337 HydrophobicContact CD2-CD2 4Å; L307-L337 HydrophobicContact CD1-CB 4.49Å; W309-L337 HydrophobicContact CB-CD2 4.13Å; W309-L337 HydrophobicContact CG-CD2 4.12Å; P312-L337 HydrophobicContact CG-CD1 3.94Å; F328-L337 HydrophobicContact CB-CB 4.26Å; F328-L337 WeakPolarHBondContact O-CA 3.28Å; F328-L337 WeakPolarHBondContact O-CB 3.21Å; F328-L337 PolarHBondContact O-N 2.88Å; D330-L337 HydrophobicContact CB-CD1 4.08Å; D330-L337 HydrophobicContact CB-CD2 3.93Å; D330-L337 HydrophobicContact CB-CG 4.02Å; R335-L337 PolarHBondContact O-N 2.98Å |
| 338 | H | 97.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 155 | -178.1 | -165.4 | 66.6 | 0 | 0 | 0 | 112.7 | A298 L307 M327 F328 F340 | A298-H338 HydrophobicContact CB-CB 4.1Å; A298-H338 WeakPolarHBondContact CB-CD2 3.32Å; A298-H338 VanDerWaalsContact CB-CG 3.44Å; A298-H338 WeakPolarHBondContact CB-NE2 3.47Å; L307-H338 HydrophobicContact CD1-CB 4.19Å; M327-H338 WeakPolarHBondContact CA-O 3.43Å; F328-H338 HydrophobicContact CD2-CB 4.39Å; F328-H338 PolarHBondContact N-O 3.04Å; F328-H338 PolarHBondContact O-N 2.86Å; H338-F340 AromaticContact CD2-CD2 3.74Å; H338-F340 AromaticContact CD2-CE2 3.63Å; H338-F340 AromaticContact CD2-CZ 3.79Å; H338-F340 AromaticContact NE2-CD1 3.72Å; H338-F340 AromaticContact NE2-CE1 3.61Å; H338-F340 AromaticContact NE2-CZ 3.84Å |
| 339 | I | 97.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.9 | 169.2 | -54.8 | -178.4 | 0 | 0 | 0 | 108.7 | L326 M327 L336 R341 | L326-I339 CarbonylContact O-C 3.6Å; L326-I339 WeakPolarHBondContact O-CA 3.3Å; M327-I339 HydrophobicContact CB-CG1 4.45Å; M327-I339 HydrophobicContact CE-CD1 3.84Å; M327-I339 HydrophobicContact CE-CG1 4.17Å; M327-I339 HydrophobicContact CG-CD1 4.36Å; M327-I339 HydrophobicContact CG-CG1 4Å; M327-I339 HydrophobicContact CG-CG2 4.26Å; L336-I339 HydrophobicContact CD1-CD1 4.3Å; L336-I339 HydrophobicContact CD1-CG1 3.78Å; L336-I339 HydrophobicContact CD2-CD1 3.61Å; L336-I339 HydrophobicContact CD2-CG1 3.78Å; L336-I339 HydrophobicContact CG-CG1 4.2Å; I339-R341 HydrophobicContact CG2-CG 4.06Å |
| 340 | F | 98.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.1 | 159.3 | -66.1 | -77.7 | 0 | 0 | 0 | 109.6 | W284 A298 H300 L326 F328 H338 | W284-F340 HydrophobicContact CB-CD2 4.06Å; W284-F340 HydrophobicContact CB-CE2 4.13Å; W284-F340 HydrophobicContact CB-CG 4.47Å; W284-F340 AromaticContact CD1-CD1 3.74Å; W284-F340 AromaticContact CD1-CG 3.67Å; W284-F340 HydrophobicContact CG-CD2 4.49Å; W284-F340 HydrophobicContact CG-CG 4.42Å; A298-F340 HydrophobicContact CB-CE1 4.41Å; A298-F340 HydrophobicContact CB-CE2 4.19Å; A298-F340 HydrophobicContact CB-CZ 3.7Å; H300-F340 HydrophobicContact CB-CD1 4.36Å; H300-F340 HydrophobicContact CB-CE1 3.71Å; H300-F340 HydrophobicContact CB-CZ 4.15Å; L326-F340 HydrophobicContact CB-CB 4.31Å; L326-F340 HydrophobicContact CD2-CD2 4.01Å; L326-F340 PolarHBondContact N-O 2.65Å; L326-F340 PolarHBondContact O-N 3.45Å; F328-F340 HydrophobicContact CD2-CD2 4.43Å; F328-F340 HydrophobicContact CD2-CE2 4.36Å; F328-F340 AromaticContact CE2-CD2 3.74Å; F328-F340 HydrophobicContact CE2-CD2 3.74Å; F328-F340 AromaticContact CE2-CE2 3.63Å; F328-F340 HydrophobicContact CE2-CE2 3.63Å; H338-F340 AromaticContact CD2-CD2 3.74Å; H338-F340 AromaticContact CD2-CE2 3.63Å; H338-F340 AromaticContact CD2-CZ 3.79Å; H338-F340 AromaticContact NE2-CD1 3.72Å; H338-F340 AromaticContact NE2-CE1 3.61Å; H338-F340 AromaticContact NE2-CZ 3.84Å |
| 341 | R | 97.3 | Very high | 94 | Very high | 177 Ų | 177 | 63.2 Ų | 63.2 | 67% | 0.668 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.9 | 167.9 | -68.1 | -170.8 | 169 | 90.3 | 9.2 | 108.3 | G324 E325 I339 | G324-R341 CarbonylContact O-C 3.49Å; G324-R341 WeakPolarHBondContact O-CA 3.08Å; E325-R341 HydrophobicContact CG-CG 4.43Å; E325-R341 IonicContact OE1-CZ 3.23Å; E325-R341 VanDerWaalsContact OE1-CZ 3.23Å; E325-R341 IonicContact OE1-NE 2.77Å; E325-R341 PolarHBondContact OE1-NE 3.4Å; E325-R341 IonicContact OE1-NH2 2.84Å; E325-R341 PolarHBondContact OE1-NH2 3.23Å; I339-R341 HydrophobicContact CG2-CG 4.06Å |
| 342 | S | 93.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -151.5 | 135.5 | -178.1 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | W284 G324 F344 | W284-S342 WeakPolarHBondContact CZ2-OG 3.48Å; G324-S342 CarbonylContact C-O 3.58Å; G324-S342 WeakPolarHBondContact CA-O 2.92Å; G324-S342 PolarHBondContact O-N 2.82Å; G324-S342 VanDerWaalsContact O-O 3.06Å; S342-F344 PolarHBondContact O-N 2.91Å | ||
| 343 | R | 94.3 | Very high | 94.5 | Very high | 208 Ų | 208 | 59.1 Ų | 59.1 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | trans | -68 | 117.1 | 170.7 | -172.3 | 178.1 | -178.5 | -175.9 | 1.3 | 109 | L345 | R343-L345 HydrophobicContact CG-CD2 3.93Š| ||
| 344 | F | 95.1 | Very high | 94 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | trans | -82.8 | 122.2 | 176.6 | -56.2 | -59.3 | 0 | 0 | 0 | 110.4 | Y267 W284 L326 S342 L348 | Y267-F344 HydrophobicContact CE1-CB 4.48Å; Y267-F344 VanDerWaalsContact OH-CA 3.3Å; Y267-F344 WeakPolarHBondContact OH-CA 3.47Å; W284-F344 HydrophobicContact CD2-CE1 4.17Å; W284-F344 HydrophobicContact CE3-CE1 4.18Å; W284-F344 HydrophobicContact CH2-CD1 4.12Å; W284-F344 HydrophobicContact CH2-CE1 4.27Å; W284-F344 HydrophobicContact CZ2-CD1 4.38Å; W284-F344 HydrophobicContact CZ2-CE1 4.21Å; W284-F344 HydrophobicContact CZ3-CD1 4.23Å; W284-F344 HydrophobicContact CZ3-CE1 4.24Å; L326-F344 HydrophobicContact CB-CZ 4.11Å; S342-F344 PolarHBondContact O-N 2.91Å; F344-L348 HydrophobicContact CB-CD1 4.28Å; F344-L348 HydrophobicContact CD1-CD1 3.79Å; F344-L348 HydrophobicContact CD1-CD2 4.15Å; F344-L348 HydrophobicContact CD1-CG 4.35Å; F344-L348 HydrophobicContact CD2-CD1 3.8Å; F344-L348 HydrophobicContact CE1-CD1 4.01Å; F344-L348 HydrophobicContact CE2-CD1 4.01Å; F344-L348 HydrophobicContact CG-CD1 3.68Å; F344-L348 HydrophobicContact CG-CG 4.35Å; F344-L348 HydrophobicContact CZ-CD1 4.13Å | ||
| 345 | L | 91.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 45.8 Ų | 45.8 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | trans | -103.2 | -10.5 | -172.6 | -59.7 | 179.2 | 0 | 0 | 0 | 113.6 | Y267 R343 | Y267-L345 PolarHBondContact OH-N 2.69Å; R343-L345 HydrophobicContact CG-CD2 3.93Å | ||
| 346 | Q | 93.9 | Very high | 90.8 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -137.5 | 162.8 | -179 | -65 | 178.7 | 40.2 | 0 | 0 | 109 | Y267 S270 H321 L348 | Y267-Q346 HydrophobicContact CD1-CB 3.58Å; Y267-Q346 HydrophobicContact CD2-CB 4.36Å; Y267-Q346 HydrophobicContact CE1-CB 3.86Å; Y267-Q346 WeakPolarHBondContact CE1-O 3.25Å; Y267-Q346 HydrophobicContact CG-CB 3.87Å; Y267-Q346 HydrophobicContact CG-CG 4.47Å; S270-Q346 PolarHBondContact OG-NE2 3.24Å; S270-Q346 VanDerWaalsContact OG-NE2 3.11Å; S270-Q346 PolarHBondContact OG-OE1 3.44Å; H321-Q346 PolarHBondContact NE2-O 3.1Å; Q346-L348 PolarHBondContact O-N 3.48Å |
| 347 | P | 94.3 | Very high | 88.6 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 29% | 0.292 | 22% | 0.216 | S | C | . | . | trans | -54.2 | 136 | 169.2 | -23.6 | 34.6 | 0 | 0 | 0 | 110.8 | E242 I243 N244 | E242-P347 HydrophobicContact CB-CB 4.1Å; E242-P347 HydrophobicContact CG-CB 4.37Å; I243-P347 WeakPolarHBondContact O-CA 3.49Å; N244-P347 VanDerWaalsContact OD1-CB 3.26Å; N244-P347 WeakPolarHBondContact OD1-CB 3.5Å; N244-P347 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 348 | L | 97.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 149.4 | 176.1 | -71.2 | 172.1 | 0 | 0 | 0 | 109.9 | E242 I243 V265 A266 Y267 W284 F344 Q346 | E242-L348 CarbonylContact C-O 3.59Å; E242-L348 WeakPolarHBondContact CA-O 3.25Å; I243-L348 HydrophobicContact CB-CB 4.23Å; I243-L348 PolarHBondContact N-O 2.94Å; I243-L348 PolarHBondContact O-N 3.44Å; V265-L348 HydrophobicContact CB-CB 4.35Å; V265-L348 HydrophobicContact CB-CD1 4.41Å; V265-L348 HydrophobicContact CB-CD2 4.12Å; V265-L348 HydrophobicContact CG2-CD1 4.05Å; V265-L348 HydrophobicContact CG2-CD2 3.9Å; V265-L348 HydrophobicContact CG2-CG 4.49Å; A266-L348 CarbonylContact O-C 3.55Å; A266-L348 WeakPolarHBondContact O-CA 3.3Å; Y267-L348 HydrophobicContact CD1-CD2 3.57Å; Y267-L348 HydrophobicContact CD1-CG 4.4Å; Y267-L348 HydrophobicContact CE1-CD2 3.47Å; Y267-L348 VanDerWaalsContact CE1-CD2 3.47Å; Y267-L348 HydrophobicContact CE1-CG 4.18Å; W284-L348 HydrophobicContact CE3-CD2 4.39Å; W284-L348 HydrophobicContact CZ3-CD2 4.06Å; F344-L348 HydrophobicContact CB-CD1 4.28Å; F344-L348 HydrophobicContact CD1-CD1 3.79Å; F344-L348 HydrophobicContact CD1-CD2 4.15Å; F344-L348 HydrophobicContact CD1-CG 4.35Å; F344-L348 HydrophobicContact CD2-CD1 3.8Å; F344-L348 HydrophobicContact CE1-CD1 4.01Å; F344-L348 HydrophobicContact CE2-CD1 4.01Å; F344-L348 HydrophobicContact CG-CD1 3.68Å; F344-L348 HydrophobicContact CG-CG 4.35Å; F344-L348 HydrophobicContact CZ-CD1 4.13Å; Q346-L348 PolarHBondContact O-N 3.48Å |
| 349 | V | 96.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.7 | 165.2 | -68.4 | 0 | 0 | 0 | 0 | 109.7 | L238 E242 V265 A266 R268 | L238-V349 HydrophobicContact CB-CG2 4.06Å; L238-V349 HydrophobicContact CD1-CG2 4.02Å; L238-V349 HydrophobicContact CD2-CG2 4.12Å; L238-V349 HydrophobicContact CG-CG2 4.26Å; E242-V349 HydrophobicContact CB-CG1 4.48Å; E242-V349 HydrophobicContact CG-CG1 3.79Å; V265-V349 CarbonylContact C-O 3.4Å; V265-V349 WeakPolarHBondContact CA-O 3.43Å; A266-V349 PolarHBondContact N-O 3Å; A266-V349 WeakPolarHBondContact O-CG2 3.42Å; A266-V349 PolarHBondContact O-N 3.34Å; R268-V349 HydrophobicContact CB-CG1 4.03Å; R268-V349 HydrophobicContact CB-CG2 3.95Å; R268-V349 HydrophobicContact CG-CG1 4.42Å; R268-V349 HydrophobicContact CG-CG2 4.48Å |
| 350 | P | 96.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 140.2 | 164.5 | -25.7 | 35.9 | 0 | 0 | 0 | 110.5 | F167 F169 L238 G239 W250 F352 | F167-P350 HydrophobicContact CE1-CG 3.72Å; F167-P350 HydrophobicContact CZ-CG 4.15Å; F169-P350 HydrophobicContact CD1-CG 3.9Å; F169-P350 HydrophobicContact CD2-CB 4.14Å; F169-P350 HydrophobicContact CD2-CG 3.93Å; F169-P350 HydrophobicContact CE1-CB 4.27Å; F169-P350 HydrophobicContact CE1-CG 3.73Å; F169-P350 HydrophobicContact CE2-CB 3.63Å; F169-P350 HydrophobicContact CE2-CG 3.8Å; F169-P350 HydrophobicContact CG-CG 3.99Å; F169-P350 HydrophobicContact CZ-CB 3.7Å; F169-P350 HydrophobicContact CZ-CG 3.69Å; L238-P350 CarbonylContact C-O 3.58Å; L238-P350 WeakPolarHBondContact CA-O 3.26Å; G239-P350 PolarHBondContact N-O 3.41Å; W250-P350 HydrophobicContact CH2-CG 4.44Å; W250-P350 HydrophobicContact CZ2-CB 4.14Å; W250-P350 HydrophobicContact CZ2-CG 4.17Å; P350-F352 HydrophobicContact CB-CE2 3.59Å; P350-F352 HydrophobicContact CB-CZ 3.74Å |
| 351 | A | 96.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 135.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L238 V263 G264 A266 L277 | L238-A351 HydrophobicContact CD2-CB 3.63Å; V263-A351 WeakPolarHBondContact CA-O 3.1Å; G264-A351 PolarHBondContact N-O 3.17Å; G264-A351 PolarHBondContact O-N 3.19Å; A266-A351 HydrophobicContact CB-CB 4.04Å; L277-A351 HydrophobicContact CD1-CB 3.83Å; L277-A351 HydrophobicContact CD2-CB 3.76Å; L277-A351 HydrophobicContact CG-CB 4.48Å |
| 352 | F | 93.8 | Very high | 74.6 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131 | -171.7 | -49.8 | -91.2 | 0 | 0 | 0 | 110.6 | F169 F171 T236 V237 S262 V263 P350 L359 | F169-F352 AromaticContact CE2-CE2 3.82Å; F169-F352 HydrophobicContact CE2-CE2 3.82Å; F169-F352 AromaticContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CE2-CZ 3.74Å; F169-F352 HydrophobicContact CZ-CE2 4.39Å; F169-F352 AromaticContact CZ-CZ 3.87Å; F169-F352 HydrophobicContact CZ-CZ 3.87Å; F171-F352 HydrophobicContact CD1-CD2 4.11Å; F171-F352 HydrophobicContact CD1-CE2 4.26Å; F171-F352 AromaticContact CE1-CD2 3.6Å; F171-F352 HydrophobicContact CE1-CD2 3.6Å; F171-F352 AromaticContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CE2 3.68Å; F171-F352 HydrophobicContact CE1-CG 4.12Å; F171-F352 HydrophobicContact CE1-CZ 4.26Å; T236-F352 CarbonylContact C-O 3.56Å; T236-F352 WeakPolarHBondContact CA-O 3.46Å; V237-F352 HydrophobicContact CG1-CB 4.12Å; V237-F352 PolarHBondContact N-O 3.44Å; V237-F352 PolarHBondContact O-N 3.18Å; S262-F352 CarbonylContact O-C 3.44Å; S262-F352 WeakPolarHBondContact O-CA 3.47Å; V263-F352 HydrophobicContact CB-CD1 4.29Å; V263-F352 HydrophobicContact CG2-CD1 3.61Å; V263-F352 HydrophobicContact CG2-CE1 3.51Å; P350-F352 HydrophobicContact CB-CE2 3.59Å; P350-F352 HydrophobicContact CB-CZ 3.74Å; F352-L359 HydrophobicContact CB-CD1 4.34Å; F352-L359 HydrophobicContact CD1-CD1 4.21Å |
| 353 | T | 90.1 | Very high | 72 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.9 | 168.8 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | Y235 T236 L261 S262 L277 | Y235-T353 CarbonylContact O-C 3.52Å; Y235-T353 WeakPolarHBondContact O-CA 3.35Å; Y235-T353 WeakPolarHBondContact O-CG2 3.39Å; T236-T353 PolarHBondContact OG1-OG1 3.42Å; L261-T353 CarbonylContact C-O 3.57Å; L261-T353 WeakPolarHBondContact CA-O 3.46Å; S262-T353 PolarHBondContact N-O 2.81Å; S262-T353 PolarHBondContact O-N 3.19Å; L277-T353 WeakPolarHBondContact CD1-OG1 3.29Å; L277-T353 WeakPolarHBondContact CG-OG1 3.43Å |
| 354 | V | 78.8 | Confident | 69 | Low | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121 | -179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | L180 V187 W189 Y235 L359 | L180-V354 HydrophobicContact CD2-CB 4.23Å; V187-V354 HydrophobicContact CG1-CG2 4.21Å; W189-V354 HydrophobicContact CB-CG1 4.34Å; Y235-V354 VanDerWaalsContact CB-O 3.25Å; Y235-V354 WeakPolarHBondContact CB-O 3.38Å; Y235-V354 PolarHBondContact O-N 2.85Å; V354-L359 HydrophobicContact CG2-CD1 3.58Å; V354-L359 HydrophobicContact CG2-CG 4.03Å |
| 355 | S | 62.2 | Low | 65.8 | Low | 35 Ų | 35 | 40.4 Ų | 40.4 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -105.4 | -11.9 | 179.2 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | S260 | S260-S355 PolarHBondContact O-N 2.76Å; S260-S355 PolarHBondContact O-OG 3.2Å; S260-S355 PolarHBondContact OG-OG 2.82Å |
| 356 | T | 48.5 | Very low | 62.8 | Low | 48 Ų | 48 | 36.1 Ų | 36.1 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -161.9 | 118.3 | 165.3 | -40.9 | 0 | 0 | 0 | 0 | 109.4 | K259 | K259-T356 HydrophobicContact CG-CG2 4.06Š|
| 357 | I | 50.5 | Low | 59.8 | Low | 60 Ų | 60 | 36 Ų | 36 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -14.6 | 142.3 | 177.6 | -40.4 | 173.6 | 0 | 0 | 0 | 116.8 | T188 W189 | T188-I357 HydrophobicContact CG2-CG2 3.4Å; W189-I357 HydrophobicContact CB-CG1 4.4Å; W189-I357 WeakPolarHBondContact O-CD1 3.29Å; W189-I357 WeakPolarHBondContact O-CG1 3.24Å |
| 358 | V | 42 | Very low | 56.7 | Low | 29 Ų | 29 | 36.5 Ų | 36.5 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | cis | -136.7 | 150.7 | 6.3 | -175 | 0 | 0 | 0 | 0 | 107.4 | T186 V187 T188 L255 | T186-V358 HydrophobicContact CG2-CG1 3.05Å; V187-V358 WeakPolarHBondContact O-CA 3.4Å; T188-V358 HydrophobicContact CG2-CB 4.26Å; T188-V358 HydrophobicContact CG2-CG1 3.81Å; T188-V358 HydrophobicContact CG2-CG2 4.15Å; L255-V358 HydrophobicContact CB-CB 3.64Å; L255-V358 HydrophobicContact CB-CG1 4.38Å; L255-V358 HydrophobicContact CB-CG2 4.04Å; L255-V358 HydrophobicContact CD1-CB 3.4Å; L255-V358 HydrophobicContact CD1-CG1 3.17Å; L255-V358 HydrophobicContact CD1-CG2 3.84Å; L255-V358 HydrophobicContact CG-CB 3.54Å; L255-V358 HydrophobicContact CG-CG1 3.74Å; L255-V358 HydrophobicContact CG-CG2 4.28Å; L255-V358 PolarHBondContact N-O 3.34Å | ||
| 359 | L | 40.5 | Very low | 53.2 | Low | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.6 | 164.2 | -70.8 | 177.2 | 0 | 0 | 0 | 109.7 | T186 V187 L252 P254 L261 F352 V354 | T186-L359 WeakPolarHBondContact CA-O 3.35Å; V187-L359 PolarHBondContact N-O 2.8Å; V187-L359 PolarHBondContact O-N 3.12Å; L252-L359 HydrophobicContact CD1-CD1 4.49Å; L252-L359 HydrophobicContact CD1-CD2 4Å; P254-L359 HydrophobicContact CB-CD2 4.46Å; L261-L359 HydrophobicContact CD2-CD2 4.09Å; F352-L359 HydrophobicContact CB-CD1 4.34Å; F352-L359 HydrophobicContact CD1-CD1 4.21Å; V354-L359 HydrophobicContact CG2-CD1 3.58Å; V354-L359 HydrophobicContact CG2-CG 4.03Å |
| 360 | Q | 36.5 | Very low | 49.9 | Very low | 69 Ų | 69 | 47.3 Ų | 47.3 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.4 | 165.3 | -178.3 | 175.2 | 18.6 | 0 | 0 | 109 | R253 L255 Y362 | R253-Q360 PolarHBondContact N-O 2.78Å; R253-Q360 PolarHBondContact O-N 2.7Å; L255-Q360 HydrophobicContact CD1-CB 4.25Å; L255-Q360 HydrophobicContact CD2-CB 3.59Å; L255-Q360 HydrophobicContact CG-CB 4.2Å; Q360-Y362 HydrophobicContact CB-CE2 4.21Å; Q360-Y362 HydrophobicContact CG-CD2 4.25Å; Q360-Y362 HydrophobicContact CG-CE2 3.79Å; Q360-Y362 PolarHBondContact OE1-OH 3.28Å; Q360-Y362 VanDerWaalsContact OE1-OH 3.1Å |
| 361 | Q | 37.7 | Very low | 46.4 | Very low | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.4 | 171.6 | -175.4 | 179.1 | -3.7 | 0 | 0 | 109.5 | F169 D185 | F169-Q361 PolarHBondContact O-NE2 3.16Å; D185-Q361 HydrophobicContact CB-CB 3.96Å; D185-Q361 WeakPolarHBondContact O-CB 3.45Å; D185-Q361 PolarHBondContact O-N 3.22Å |
| 362 | Y | 35.3 | Very low | 42.9 | Very low | 81 Ų | 81 | 60.7 Ų | 60.7 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.4 | 170.6 | -76.8 | -89.9 | 0 | 0 | 0 | 109 | E251 R253 Q360 | E251-Y362 PolarHBondContact O-N 3.2Å; R253-Y362 HydrophobicContact CB-CD2 4.08Å; R253-Y362 HydrophobicContact CB-CE2 3.85Å; Q360-Y362 HydrophobicContact CB-CE2 4.21Å; Q360-Y362 HydrophobicContact CG-CD2 4.25Å; Q360-Y362 HydrophobicContact CG-CE2 3.79Å; Q360-Y362 PolarHBondContact OE1-OH 3.28Å; Q360-Y362 VanDerWaalsContact OE1-OH 3.1Å |
| 363 | Y | 38.8 | Very low | 39.6 | Very low | 64 Ų | 64 | 73.8 Ų | 73.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | trans | -86.3 | 125.5 | 178 | -66.2 | -83.8 | 0 | 0 | 0 | 111.8 | N79 T168 F169 D185 | N79-Y363 PolarHBondContact ND2-O 3.09Å; N79-Y363 VanDerWaalsContact ND2-O 3.07Å; T168-Y363 HydrophobicContact CG2-CD1 3.9Å; T168-Y363 HydrophobicContact CG2-CE1 4.06Å; F169-Y363 PolarHBondContact O-OH 3.43Å; D185-Y363 WeakPolarHBondContact OD1-CE2 3.43Å; D185-Y363 PolarHBondContact OD1-OH 2.83Å; D185-Y363 WeakPolarHBondContact OD2-CE2 3.2Å | ||
| 364 | C | 31.3 | Very low | 37.1 | Very low | 16 Ų | 16 | 76.7 Ų | 76.7 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | trans | 70.6 | 115.5 | 152.8 | -170.8 | 0 | 0 | 0 | 0 | 119 | N79 S366 | N79-C364 WeakPolarHBondContact ND2-CB 3.18Å; N79-C364 PolarHBondContact ND2-O 3.19Å; N79-C364 WeakPolarHBondContact OD1-CB 2.9Å; N79-C364 PolarHBondContact OD1-SG 2.57Å; C364-S366 PolarHBondContact SG-N 3.43Å; C364-S366 VanDerWaalsContact SG-N 3.37Å; C364-S366 PolarHBondContact SG-OG 3.22Å | ||
| 365 | R | 29.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 80.5 Ų | 80.5 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | trans | -127 | 92.8 | 130.7 | -83 | -170.8 | 176.6 | -152.1 | -0.5 | 106.5 | Y249 T367 | Y249-R365 WeakPolarHBondContact CD1-O 3.42Å; Y249-R365 HydrophobicContact CE1-CB 4.13Å; Y249-R365 WeakPolarHBondContact CE1-O 2.89Å; R365-T367 PolarHBondContact O-N 2.96Å | ||
| 366 | S | 27.8 | Very low | 33.4 | Very low | 37 Ų | 37 | 83.1 Ų | 83.1 | 26% | 0.259 | 40% | 0.395 | S | S | . | . | trans | -72.3 | 80.2 | 170 | -59.9 | 0 | 0 | 0 | 0 | 107.6 | D78 C364 | D78-S366 PolarHBondContact N-O 2.89Å; D78-S366 VanDerWaalsContact N-O 3.14Å; D78-S366 VanDerWaalsContact OD1-C 3.31Å; C364-S366 PolarHBondContact SG-N 3.43Å; C364-S366 VanDerWaalsContact SG-N 3.37Å; C364-S366 PolarHBondContact SG-OG 3.22Å | ||
| 367 | T | 31 | Very low | 32.5 | Very low | 72 Ų | 72 | 85.1 Ų | 85.1 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | 150.9 | 106.2 | 159.7 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | D78 R365 E369 | D78-T367 WeakPolarHBondContact OD1-CB 3.34Å; D78-T367 PolarHBondContact OD1-N 2.99Å; R365-T367 PolarHBondContact O-N 2.96Å; T367-E369 HydrophobicContact CG2-CG 4.2Å; T367-E369 PolarHBondContact O-N 3.07Å | ||
| 368 | I | 28.9 | Very low | 31.4 | Very low | 56 Ų | 56 | 86.7 Ų | 86.7 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | trans | -81.5 | 104.6 | 151.8 | -59.6 | 179.4 | 0 | 0 | 0 | 104.2 | Y249 I329 L370 | Y249-I368 HydrophobicContact CD2-CD1 4.21Å; Y249-I368 HydrophobicContact CE2-CD1 3.6Å; Y249-I368 HydrophobicContact CE2-CG1 4.11Å; I329-I368 HydrophobicContact CB-CD1 4.26Å; I329-I368 HydrophobicContact CD1-CD1 3.52Å; I329-I368 HydrophobicContact CG1-CD1 3.76Å; I329-I368 HydrophobicContact CG2-CD1 4.3Å; I368-L370 HydrophobicContact CB-CG 4.46Å; I368-L370 HydrophobicContact CG2-CB 4.46Å; I368-L370 HydrophobicContact CG2-CD2 3.74Å; I368-L370 HydrophobicContact CG2-CG 3.68Å; I368-L370 PolarHBondContact O-N 3.02Å | ||
| 369 | E | 24.9 | Very low | 30.7 | Very low | 147 Ų | 147 | 90.5 Ų | 90.5 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | trans | -64.6 | 92.7 | 152.9 | -91 | -173.8 | 168.3 | 0 | 0 | 105.1 | T367 L371 | T367-E369 HydrophobicContact CG2-CG 4.2Å; T367-E369 PolarHBondContact O-N 3.07Å; E369-L371 VanDerWaalsContact C-N 3.25Å; E369-L371 PolarHBondContact O-N 2.78Å | ||
| 370 | L | 26.6 | Very low | 30 | Very low | 81 Ų | 81 | 96.6 Ų | 96.6 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | trans | -64.7 | 100.5 | 165.4 | -75 | 165.6 | 0 | 0 | 0 | 104.4 | M327 I368 L372 | M327-L370 HydrophobicContact CE-CD1 3.8Å; I368-L370 HydrophobicContact CB-CG 4.46Å; I368-L370 HydrophobicContact CG2-CB 4.46Å; I368-L370 HydrophobicContact CG2-CD2 3.74Å; I368-L370 HydrophobicContact CG2-CG 3.68Å; I368-L370 PolarHBondContact O-N 3.02Å; L370-L372 HydrophobicContact CB-CG 4.1Å; L370-L372 PolarHBondContact O-N 2.83Å | ||
| 371 | L | 23.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 98.8 Ų | 98.8 | 68% | 0.675 | 46% | 0.461 | S | S | * | . | trans | -64.7 | 78.4 | 158.2 | -66.9 | 173 | 0 | 0 | 0 | 106.3 | E369 Y373 | E369-L371 VanDerWaalsContact C-N 3.25Å; E369-L371 PolarHBondContact O-N 2.78Å; L371-Y373 VanDerWaalsContact C-N 3.35Å; L371-Y373 HydrophobicContact CB-CE2 4.31Å; L371-Y373 PolarHBondContact O-N 3.33Å | ||
| 372 | L | 22.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 106 Ų | 106 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | trans | -69.2 | 100.9 | 159.6 | -65.3 | 171.5 | 0 | 0 | 0 | 104.6 | L370 | L370-L372 HydrophobicContact CB-CG 4.1Å; L370-L372 PolarHBondContact O-N 2.83Å | ||
| 373 | Y | 26.1 | Very low | 28.2 | Very low | 279 Ų | 279 | 108.3 Ų | 108.3 | 100% | 1.094 | 51% | 0.511 | S | S | * | . | trans | -70.5 | 0 | 160.4 | -73.8 | -80 | 0 | 0 | 0 | 109.8 | L371 | L371-Y373 VanDerWaalsContact C-N 3.35Å; L371-Y373 HydrophobicContact CB-CE2 4.31Å; L371-Y373 PolarHBondContact O-N 3.33Å |
Retrieved 373 of 373 residues in 228.6 ms
(Link to these results)